SCHEMBL24858337

SCHEMBL24858337

Cc1cc(N)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.56
NOS2 P35228 4/20 0.56
NOS1 P29475 2/20 0.56
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
PIK3CD O00329 2/20 0.41

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
SCHEMBL29851068 1.00 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
Formic Acid SCHEMBL30949963 0.89 NOS3 (0.46) NOS3NOS2NOS1GABRPGABRD
Trifluoroacetic Acid SCHEMBL30165039 0.88 GABRP (0.51) NOS3NOS2NOS1GABRPGABRD
Trifluoroacetic Acid SCHEMBL30165134 0.88 GABRP (0.51) NOS3NOS2NOS1GABRPGABRD
SCHEMBL30493743 0.84 NOS3 (0.52) NOS3NOS2NOS1GABRPGABRD
SCHEMBL29899421 0.83 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL6933510 0.83 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL14803741 0.81 NOS3 (0.58) NOS3NOS2NOS1GABRPGABRD
SCHEMBL16712832 0.80 CA2 (0.45) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL13073943 0.78 UHRF1 (0.46) HPGDHSD17B10S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305038-A1 KRAS G12D INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP claimed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO claimed
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 EP disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
US-20260055057-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2026-02-26 US disclosed
US-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
EP-4577214-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-07-02 EP disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
US-20250197424-A1 QUINOLINE COMPOUND AND USE THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2025-06-19 US disclosed
WO-2023001123-A1 NEW PYRIDOPYRIMIDINE DERIVATIVE 上海艾力斯医药科技股份有限公司 2023-01-26 WO disclosed
WO-2023274324-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海艾力斯医药科技股份有限公司 2023-01-05 WO disclosed
WO-2023274324-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海艾力斯医药科技股份有限公司 2023-01-05 WO disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-09-08 US disclosed
WO-2022173678-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-08-18 WO disclosed
CN-112105419-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-18 CN 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 (7 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-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L NOS3 4696/4885NOS2 4592/4885NOS1 4756/4885
US-20250197424-A1 QUINOLINE COMPOUND AND USE THEREOF UGT1A7, UGT2B7, CYP3A7 NOS3 487/4885NOS2 442/4885NOS1 715/4885
US-20260055057-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF GIPR, GLP1R, GPR119 NOS3 2513/4885NOS2 3956/4885NOS1 2957/4885
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF OXA1L, CACNA1I, GRIK5 NOS3 4712/4885NOS2 4718/4885NOS1 4805/4885
US-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS NOS3 4189/4885NOS2 4824/4885NOS1 4399/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS NOS3 3977/4885NOS2 4519/4885NOS1 3932/4885
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use GIPR, MC2R, GRPR NOS3 2942/4885NOS2 3747/4885NOS1 4219/4885

“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.