SCHEMBL25204932

SCHEMBL25204932

O=Cc1ccccc1-c1ccc2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ DYRK1A Q13627 1/20 0.50
▸ MCL1 Q07820 1/20 0.47
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ AR P10275 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2473569 0.83 PDGFRB (0.50) ALDH1A1AKR1C3AKR1C2XDH
SCHEMBL10296085 0.80 NPC1 (0.69) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL31406989 0.80 GSTP1 (0.57) CCNCCDK8ERN1KDM4EXDH
SCHEMBL868484 0.80 GSTP1 (0.57) CCNCCDK8ERN1KDM4EXDH
SCHEMBL31406988 0.80 GSTP1 (0.57) CCNCCDK8ERN1KDM4EXDH
SCHEMBL27925766 0.80 POLB (0.54) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL15637440 0.79 NPC1 (0.67) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL29048712 0.78 GSTP1 (0.50) CCNCCDK8ERN1ALDH1A1CASP1
SCHEMBL4632539 0.78 POLB (0.65) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL27998035 0.78 NPC1 (0.65) POLBNPC1RAB9ADYRK1AMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-09-28 — — US disclosed
EP-4180429-A1 PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2023-05-17 — — 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 (1 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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION DHPS, DHFR, QDPR POLB 623/4885NPC1 2330/4885RAB9A 2009/4885

“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.

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