SCHEMBL4769832

SCHEMBL4769832

O=c1[nH]c(=O)c2ccncc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.62
KDM4E B2RXH2 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
KDM5A P29375 6/20 0.51
CHUK O15111 4/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
IKBKB O14920 1/20 0.50
AURKA O14965 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PIM1 P11309 1/20 0.50
TOP1 P11387 1/20 0.50
GABRA1 P14867 1/20 0.50
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL9533317 0.84 PARP1 (0.62) PARP1KDM4ECA12CA9CHUK
SCHEMBL9979350 0.81 PARP1 (0.59) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL10134605 0.80 PARP1 (0.79) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL29484414 0.80 PARP1 (0.79) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL31625660 0.79 PDE3B (0.52) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL259923 0.79 PDE3B (0.52) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL12750475 0.77 PARP1 (1.00) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL30322777 0.75 CHUK (0.78) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL12396541 0.75 CHUK (0.78) PARP1KDM4EKDM5ACHUKGABRP
SCHEMBL12432727 0.75 PARP1 (0.52) PARP1KDM4EKDM5ACHUKGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US claimed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
US-20250313535-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. 2025-10-09 US disclosed
US-20250288589-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. 2025-09-18 US disclosed
EP-4522589-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF Dice Molecules Sv, Inc. (US) 2025-03-19 EP disclosed
US-20250084060-A1 PRMT5 INHIBITORS AND METHODS OF TREATMENT HANGZHOU UNOGEN BIOTECH, LTD. (CN) 2025-03-13 US disclosed
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 disclosed
CN-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 CN disclosed
EP-4444289-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-20060199803-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090169-A1 2,4-DIAMINO-PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 WO disclosed
WO-2005051316-A2 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
US-3947442-A Method for producing heterocyclic acid anhydrides and pyrimidinediones THE SHERWIN-WILLIAMS COMPANY (US) 1976-03-30 US disclosed
US-3947416-A Azaisatoic anhydrides THE SHERWIN-WILLIAMS COMPANY (US) 1976-03-30 US 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 (5 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 PARP1 3245/4885KDM4E 2484/4885CA12 1055/4885
US-20060199803-A1 Compounds MTOR, RICTOR, RPTOR PARP1 1795/4885KDM4E 1370/4885CA12 3932/4885
US-20250313535-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF ITGB7, ITGB4, ITGA4 PARP1 3381/4885KDM4E 1308/4885CA12 3762/4885
US-20250288589-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB PARP1 433/4885KDM4E 3908/4885CA12 4417/4885
US-20250084060-A1 PRMT5 INHIBITORS AND METHODS OF TREATMENT PRMT5, PRMT3, PRMT1 PARP1 260/4885KDM4E 54/4885CA12 4523/4885

“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.