SCHEMBL8296748

SCHEMBL8296748

CC(=N)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ CES2 O00748 3/20 0.48
▸ CES1 P23141 3/20 0.48
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18644564 0.85 NOS3 (0.39) LMNATSHRMAPK1ALOX15CYP3A4
SCHEMBL315559 0.77 CES2 (0.52) LMNACES2CES1TSHRMAPK1
SCHEMBL10605179 0.77 LMNA (0.59) LMNACES2CES1TSHRMAPK1
SCHEMBL6002650 0.77 CES2 (0.52) LMNACES2CES1TSHRMAPK1
SCHEMBL18657400 0.77 LMNA (0.59) LMNACES2CES1TSHRMAPK1
SCHEMBL7671018 0.74 LMNA (0.56) LMNACES2CES1TSHRMAPK1
SCHEMBL13101513 0.74 LMNA (0.55) LMNATSHRMAPK1ALOX15CYP3A4
SCHEMBL29733438 0.74 LMNA (0.56) LMNACES2CES1TSHRMAPK1
SCHEMBL7555313 0.74 TSHR (0.55) LMNACES2CES1TSHRMAPK1
SCHEMBL2183090 0.74 ALDH1A1 (0.50) LMNACES2CES1MAPK1ATM

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — US disclosed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 — — US disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 — — US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 — — US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 — — US disclosed
WO-2017192841-A1 METHODS OF TREATMENT AND COMBINATION THERAPIES USING GCASE ACTIVATOR HETEROBICYCLIC AND RELATED COMPOUNDS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 — — WO disclosed
WO-2017176962-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS, INC. (US) 2017-10-12 — — WO disclosed
WO-2017176960-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 — — WO disclosed
WO-2017176961-A1 IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 — — WO disclosed
WO-2016073895-A1 SUBSTITUTED PYRAZOLO(1,5-A)PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2016-05-12 — — WO disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 — — US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 — — US disclosed
WO-2009040507-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-04-02 — — WO disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 — — WO disclosed
CN-1226228-A Process for preparing preparing racemic phenethylamines BAYER AG (DE) 1999-08-18 — — CN disclosed
US-4242348-A ANALGESICS; ANTIIFLAMMATORY AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-12-30 — — US disclosed
US-4044023-A ANTIINFLAMMATORY, ANALGESICS U.S. PHILIPS CORPORATION (US) 1977-08-23 — — 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 (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-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885CES2 502/4885CES1 1023/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885CES2 4464/4885CES1 4499/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885CES2 4464/4885CES1 4499/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885CES2 4464/4885CES1 4499/4885

“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.

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