SCHEMBL10178745

SCHEMBL10178745

Cc1c(F)cc(Cl)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
TRPV4 Q9HBA0 2/20 0.36
AR P10275 5/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HPGD P15428 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ACLY P53396 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11948729 0.84 HPGD (0.38) TRPV4ARHPGDALDH1A1
SCHEMBL18315128 0.78 TSHR (0.38) EGLN2TRPV4ARHPGDALDH1A1
SCHEMBL8111333 0.78 GPR35 (0.41) TRPV4ARHPGDALDH1A1
SCHEMBL14033196 0.78 TRPV4 (0.39) KHKCYP11B1CYP11B2TRPV4AR
SCHEMBL13525263 0.78 DHODH (0.40) KHKCYP11B1CYP11B2TRPV4AR
SCHEMBL31218431 0.78 KHK (0.41) KHKEGLN2CYP11B1CYP11B2TRPV4
SCHEMBL22120133 0.78 KHK (0.41) KHKEGLN2CYP11B1CYP11B2TRPV4
SCHEMBL20267322 0.78 KHK (0.41) KHKEGLN2CYP11B1CYP11B2TRPV4
SCHEMBL11981507 0.77 TRPV4 (0.38) KHKEGLN2CYP11B1CYP11B2TRPV4
SCHEMBL10144167 0.77 TSHR (0.41) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells MERCK SHARP & DOHME LLC (US) 2025-03-25 US disclosed
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 CN disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
EP-3898595-B1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-05-01 EP disclosed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US disclosed
EP-3972965-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US disclosed
CN-114026081-A Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东公司 2022-02-08 CN disclosed
EP-3898595-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS Merck Sharp & Dohme Corp. (US) 2021-10-27 EP disclosed
CN-113423695-A Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells 默沙东公司 2021-09-21 CN disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727982-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 KHK 3409/4885EGLN2 3722/4885CYP11B1 3424/4885
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS KHK 1836/4885EGLN2 873/4885CYP11B1 2931/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KHK 1072/4885EGLN2 479/4885CYP11B1 3476/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KHK 1072/4885EGLN2 479/4885CYP11B1 3476/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KHK 1072/4885EGLN2 479/4885CYP11B1 3476/4885
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 KHK 1899/4885EGLN2 3832/4885CYP11B1 2047/4885
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells TYMP, PNP, CD4 KHK 3409/4885EGLN2 3722/4885CYP11B1 3424/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG KHK 1163/4885EGLN2 320/4885CYP11B1 3954/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.