SCHEMBL6985744

SCHEMBL6985744

Cc1cc(C(F)(F)F)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.56
NOS2 P35228 3/20 0.56
NOS1 P29475 2/20 0.56
AGBL2 Q5U5Z8 1/20 0.47
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP4K4 O95819 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLAU P00749 1/20 0.40
IKBKB O14920 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
CFTR P13569 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL29704112 1.00 NOS3 (0.56) NOS3NOS2NOS1AGBL2ALDH1A1
SCHEMBL30868367 0.80 NOS3 (0.48) NOS3NOS2NOS1AGBL2ALDH1A1
SCHEMBL30762204 0.80 ALDH1A1 (0.44) NOS3NOS2AGBL2ALDH1A1POLB
SCHEMBL10202034 0.80 NOS3 (0.58) NOS3NOS2NOS1ALDH1A1POLB
SCHEMBL1716472 0.80 ALDH1A1 (0.44) NOS3NOS2AGBL2ALDH1A1POLB
SCHEMBL313311 0.80 MAP4K4 (0.55) NOS3NOS2NOS1ALDH1A1POLB
SCHEMBL119201 0.78 ALDH1A1 (0.43) NOS3NOS2AGBL2ALDH1A1POLB
Hydrochloric Acid SCHEMBL3038475 0.78 ALDH1A1 (0.43) NOS3NOS2AGBL2ALDH1A1POLB
Methane SCHEMBL28200241 0.78 ALDH1A1 (0.43) NOS3NOS2AGBL2ALDH1A1POLB
SCHEMBL3643010 0.78 ALDH1A1 (0.43) NOS3NOS2AGBL2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 US disclosed
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2024-11-07 US disclosed
EP-3735299-B1 FUSED RING COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-10-02 EP disclosed
US-20240261288-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER THE EHE FOUNDATION 2024-08-08 US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
CN-117561061-A Combination of 3- (imidazol-4-yl) -4- (amino) -benzenesulfonamide TEAD inhibitors with EGFR inhibitors and/or MEK inhibitors for the treatment of lung cancer 医肯纳肿瘤学公司 2024-02-13 CN disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
WO-2024006445-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2024-01-04 WO disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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 (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-20240261288-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER EGFR, ERBB2, ERBB4 NOS3 2945/4885NOS2 3672/4885NOS1 3609/4885
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR NOS3 311/4885NOS2 1195/4885NOS1 1185/4885
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 NOS3 1857/4885NOS2 1296/4885NOS1 1514/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L NOS3 4696/4885NOS2 4592/4885NOS1 4756/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L NOS3 4696/4885NOS2 4592/4885NOS1 4756/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS NOS3 3977/4885NOS2 4519/4885NOS1 3932/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 NOS3 3521/4885NOS2 3643/4885NOS1 4151/4885
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L NOS3 4696/4885NOS2 4592/4885NOS1 4756/4885

“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.