SCHEMBL2996754

SCHEMBL2996754

NC(=O)c1ccnc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.48
KDM5C P41229 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
KDM4B O94953 1/20 0.47
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 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
SCHEMBL30475719 0.81 PFKFB3 (0.42) KDM5CKDM5BKDM4BMKNK1MKNK2
SCHEMBL118817 0.81 KDM4C (0.61) KDM5CKDM5BKDM4BTAS1R3TAS1R1
SCHEMBL29957382 0.81 KDM4C (0.61) KDM5CKDM5BKDM4BTAS1R3TAS1R1
SCHEMBL27659477 0.81 PARP1 (0.51) PARP1MKNK1MKNK2ROCK1
SCHEMBL20011909 0.79 LOXL2 (0.44) LOXL2F7F3
Hydrochloric Acid SCHEMBL28045024 0.79 KDM4C (0.59) KDM5CKDM5BKDM4BTAS1R3TAS1R1
SCHEMBL1437180 0.79 TAS1R3 (0.48) KDM5CKDM5BTAS1R3TAS1R1TAS1R2
SCHEMBL29967026 0.79 TAS1R3 (0.48) KDM5CKDM5BTAS1R3TAS1R1TAS1R2
SCHEMBL3569008 0.79 TAS1R3 (0.44) KDM5CKDM5BTAS1R3TAS1R1TAS1R2
SCHEMBL2997667 0.79 KDM4E (0.55) TAS1R3TAS1R1TAS1R2LOXL2PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof HK INNO.N CORPORATION (KR) 2024-12-31 US claimed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 US claimed
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HK INNO.N CORPORATION (KR) 2022-01-13 US claimed
US-20210047305-A1 INHIBITORS OF RAS-EFFECTOR PROTEIN INTERACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-02-18 US claimed
EP-3743414-A1 INHIBITORS OF RAS-EFFECTOR PROTEIN INTERACTIONS Oxford University Innovation Limited (GB) 2020-12-02 EP claimed
WO-2019145719-A1 INHIBITORS OF RAS-EFFECTOR PROTEIN INTERACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO claimed
CN-103687846-A Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LTD 2014-03-26 CN claimed
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 CN claimed
EP-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 EP claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-12534456-B2 Heterocyclyl pyridines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-01-27 US disclosed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
CN-113166094-B Compounds as protein kinase inhibitors and pharmaceutical compositions comprising the same 怡诺安有限公司 2025-05-06 CN disclosed
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SHENZHEN YUANLI SHENWAN INNOVATIVE MEDICINE CO LTD (CN) 2025-04-17 US disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
EP-1534687-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
WO-2004018434-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-03-04 WO disclosed
CN-87104160-A The N-cyanoalkylisonicotinderivatives derivatives 1988-01-06 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 (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-20210047305-A1 INHIBITORS OF RAS-EFFECTOR PROTEIN INTERACTIONS KRAS, NRAS, HRAS PARP1 3580/4885KDM5C 4039/4885KDM5B 3882/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS PARP1 3580/4885KDM5C 4039/4885KDM5B 3882/4885
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SGK1, HYPK, PCK1 PARP1 2518/4885KDM5C 3110/4885KDM5B 3221/4885
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof MAP3K20, MAP3K1, MAP3K15 PARP1 1984/4885KDM5C 2755/4885KDM5B 2848/4885
US-12534456-B2 Heterocyclyl pyridines as novel fungicides CBR1, CBR3, NOX1 PARP1 3841/4885KDM5C 417/4885KDM5B 1187/4885
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF MAP3K20, MAP3K1, MAP3K15 PARP1 1998/4885KDM5C 3170/4885KDM5B 3316/4885

“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.