SCHEMBL6933510

SCHEMBL6933510

Cc1cnc(N)cc1C(F)(F)F

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
PIK3CD O00329 2/20 0.41
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
MTOR P42345 9/20 0.40
PIK3CA P42336 8/20 0.40
S1PR1 P21453 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

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
SCHEMBL29899421 1.00 NOS3 (0.56) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL29851068 0.83 NOS3 (0.56) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL24858337 0.83 NOS3 (0.56) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL20243894 0.81 NOS3 (0.58) NOS3NOS2NOS1GABRPGABRD
SCHEMBL16712832 0.80 CA2 (0.45) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL6921026 0.80 UHRF1 (0.43) NOS3NOS2NOS1S1PR1HPGD
SCHEMBL29498290 0.78 CA2 (0.43) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL84522 0.78 PIK3CD (0.40) NOS3NOS2NOS1PIK3CDCA2
SCHEMBL16274506 0.77 CYP11B1 (0.33) NOS3NOS2NOS1S1PR1HPGD
SCHEMBL19144982 0.77 TRPV4 (0.39) NOS3NOS2NOS1CA2CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473303-B2 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino methyl]piperidin-3-ol compounds and their therapeutic use Carrick Therapeutics Limited (IE) 2025-11-18 US disclosed
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 US disclosed
WO-2014100765-A1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO disclosed
WO-2014016849-A9 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2014-03-13 WO disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 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 (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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD NOS3 1368/4885NOS2 2323/4885NOS1 2251/4885
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 NOS3 798/4885NOS2 1763/4885NOS1 1479/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP NOS3 3675/4885NOS2 3676/4885NOS1 4265/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 NOS3 2818/4885NOS2 2822/4885NOS1 3651/4885
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE CDK1, CDK3, CDK2 NOS3 3143/4885NOS2 4073/4885NOS1 4193/4885
US-12473303-B2 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino methyl]piperidin-3-ol compounds and their therapeutic use CDK3, CDK1, CDK2 NOS3 3211/4885NOS2 4159/4885NOS1 4301/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS NOS3 4072/4885NOS2 4217/4885NOS1 4196/4885

“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.