SCHEMBL586351

SCHEMBL586351

O=c1ccc2ncccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.53
ATAD2 Q6PL18 1/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PDE3B Q13370 9/20 0.43
PDE3A Q14432 9/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PARP1 P09874 3/20 0.42
HCAR1 Q9BXC0 1/20 0.40
PDE2A O00408 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
SCHEMBL31042178 1.00 DAO (0.53) DAOATAD2CA12CA1CA3
Hydrochloric Acid SCHEMBL4039982 0.98 DAO (0.51) DAOATAD2CA12CA1CA3
Quinoline SCHEMBL27980914 0.78 CA12 (0.67) DAOATAD2CA12CA1CA3
SCHEMBL28386674 0.78 RAB9A (0.46) DAOATAD2CA12CA1CA3
Quinoline SCHEMBL27917281 0.77 CA12 (0.65) DAOATAD2CA12CA1CA3
Quinoline SCHEMBL28063630 0.77 CA12 (0.65) DAOATAD2CA12CA1CA3
SCHEMBL28382278 0.76 RAB9A (0.47) DAOATAD2CA12CA1CA3
SCHEMBL28385007 0.76 RAB9A (0.47) DAOATAD2CA12CA1CA3
SCHEMBL25413900 0.75 DAO (0.44) DAOATAD2KDM4EMAPT
SCHEMBL26669218 0.75 ALDH1A1 (0.47) DAOATAD2KDM4EPARP1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US claimed
US-20250313535-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. 2025-10-09 US claimed
EP-4522589-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF Dice Molecules Sv, Inc. (US) 2025-03-19 EP claimed
CN-119562944-A Alpha 4 beta 7 integrin modulators and uses thereof 戴斯分子SV有限公司 2025-03-04 CN claimed
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 EP claimed
CN-117263934-A Preparation method of 5H-benzo [ c ] [1,6] naphthyridine-6-ketone derivative 上海凌凯医药科技有限公司 2023-12-22 CN claimed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO claimed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 WO claimed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 CN claimed
EP-3357922-B1 2-((5-(1-(3-(METHYLSULFONYL)PROPYL)PIPERIDIN-4-YL)PYRIDIN-2-YL)AMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS CDK4 INHIBITORS FOR TREATING TUMORS GUANGZHOU BEBETTER MEDICINE TECH CO LTD (CN) 2020-08-26 EP claimed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 WO claimed
EP-1003745-B1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2004-12-29 EP claimed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP claimed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO claimed
EP-1003745-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2000-05-31 EP claimed
WO-1999009030-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-02-25 WO claimed
EP-0569795-B1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1995-04-12 EP claimed
US-5354749-A For treating arterial hypertension and atheroschlerosis BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US claimed
EP-0569795-A1 Sulphonylbenzyl substituted benzo- and pyridopyridones BAYER AG (DE) 1993-11-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 DAO 1055/4885ATAD2 4056/4885CA12 1079/4885
US-20250313535-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF ITGB7, ITGB4, ITGA4 DAO 4152/4885ATAD2 3085/4885CA12 3762/4885

“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.