SCHEMBL322917

SCHEMBL322917

COc1ncc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
MTOR P42345 2/20 0.41
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1B Q9Y463 2/20 0.34
MAP2K1 Q02750 1/20 0.34
CASP1 P29466 1/20 0.33
EGFR P00533 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
PIK3R1 P27986 2/20 0.33
CYP3A4 P08684 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL31729256 0.86 PIK3CA (0.33) PIK3CAMTORHTTKMT2A
SCHEMBL29611762 0.85 PIK3CA (0.49) PIK3CAMTORMAPTHTTKMT2A
SCHEMBL8916 0.85 PIK3CA (0.49) PIK3CAMTORMAPTHTTKMT2A
SCHEMBL26603008 0.80 HPGD (0.38) HTTKMT2AKDR
SCHEMBL31087476 0.80 HPGD (0.38) HTTKMT2AKDR
SCHEMBL31255306 0.80 SYK (0.36) PIK3CAMTORMAP2K1EGFRKDR
SCHEMBL12675576 0.80 CYP3A4 (0.45) PIK3CAMTORMAPTKMT2AEGFR
SCHEMBL31087498 0.79 MET (0.38) HTTKMT2ACYP3A4
SCHEMBL26602992 0.79 MET (0.38) HTTKMT2ACYP3A4
SCHEMBL12093598 0.78 PIK3CA (0.44) PIK3CAMTORMAPTCASP1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719597-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED CALCIUM ION CHANNEL CAV2.3 ANTAGONISTS Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2025-06-05 US disclosed
CN-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN disclosed
US-20250145633-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2025-05-08 US disclosed
CN-119841806-A Polysubstituted quinazoline compound, preparation method, application and pharmaceutical composition thereof 中国医学科学院药物研究所 2025-04-18 CN disclosed
WO-2025070748-A1 ENHANCER REAGENT FOR CHEMILUMINESCENT REACTION, AND COMPOUND 富士フイルム株式会社 2025-04-03 WO disclosed
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALCHEMEDICINE, INC. (JP) 2025-03-13 US disclosed
EP-4512468-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2025-02-26 EP disclosed
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2025-02-20 US disclosed
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO disclosed
US-4931452-A N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1990-06-05 US disclosed
CN-1034715-A N-cyanogen methyl-2-pyridinone insecticides DOW CHEMICAL CO (US) 1989-08-16 CN disclosed
WO-1989004301-A1 N-CYANOMETHYL-2-PYRIDINONE INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1989-05-18 WO disclosed
EP-0316185-A2 N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1989-05-17 EP 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 (6 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 PIK3CA 915/4885MTOR 3966/4885MAPT 3282/4885
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK3 PIK3CA 721/4885MTOR 391/4885MAPT 2878/4885
US-20250145633-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A PIK3CA 598/4885MTOR 2365/4885MAPT 1815/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC PIK3CA 930/4885MTOR 810/4885MAPT 1763/4885
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS PIK3CA 1/4885MTOR 25/4885MAPT 2283/4885
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALDH3A1, ALDH2, ALDH1A1 PIK3CA 4283/4885MTOR 3481/4885MAPT 4018/4885

“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.