SCHEMBL966908

SCHEMBL966908

Cc1cc(F)c(F)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TERT O14746 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
CASP1 P29466 1/20 0.42
UHRF1 Q96T88 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
S100B P04271 1/20 0.37
CD44 P16070 1/20 0.36

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
SCHEMBL29502024 1.00 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29538146 0.92 CYP3A4 (0.48) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL457125 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL28606707 0.86 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL832391 0.86 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL1548535 0.86 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29358157 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL9073257 0.83 CYP3A4 (0.50) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL249597 0.81 CYP3A4 (0.48) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL203096 0.81 KDM1A (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851493-B Preparation method of 2,4, 5-trifluoro phenylacetic acid 台州臻挚生物科技有限公司 2022-09-06 CN claimed
WO-2022099439-A1 PREPARATION METHOD FOR 2,4,5-TRIFLUOROPHENYLACETIC ACID 杭州臻挚生物科技有限公司 2022-05-19 WO claimed
CN-112851493-A Preparation method of 2,4, 5-trifluorophenylacetic acid 杭州臻挚生物科技有限公司 2021-05-28 CN claimed
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives GRUENENTHAL GMBH (DE) 2024-10-03 US disclosed
US-11981677-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-05-14 US disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP disclosed
EP-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 EP disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 CN disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 US disclosed
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
EP-2036891-A2 Isoquinoline inhibitors of P38 Vertex Pharmaceuticals Incorporated (US) 2009-03-18 EP disclosed
EP-1077943-B1 HETEROCYCLIC INHIBITORS OF P38 VERTEX PHARMA (US) 2008-12-17 EP disclosed
EP-1414455-B1 ISOQUINOLINE INHIBITORS OF P38 VERTEX PHARMA (US) 2008-11-26 EP disclosed
US-7342013-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-11 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-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
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
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO 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 (4 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-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 CYP3A4 293/4885TSHR 209/4885MAPK1 821/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 CYP3A4 293/4885TSHR 209/4885MAPK1 821/4885
US-11787797-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 CYP3A4 99/4885TSHR 1396/4885MAPK1 2327/4885
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 CYP3A4 319/4885TSHR 2953/4885MAPK1 3997/4885

“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.