SCHEMBL31347645

SCHEMBL31347645

O=c1nc(Nc2ccccc2)c2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.61
ADORA3 P0DMS8 3/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PYGM P11217 1/20 0.54
EGFR P00533 3/20 0.53
ELANE P08246 2/20 0.49
NPY5R Q15761 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PDE5A O76074 1/20 0.44
APAF1 O14727 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CDC25B P30305 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL2395706 1.00 APP (0.61) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL11803092 0.89 APP (0.54) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL29044810 0.79 APP (0.60) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL11805899 0.78 APP (0.46) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL17261562 0.77 APP (0.55) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL12322087 0.76 APP (1.00) APPKDM4EALDH1A1HPGDTSHR
SCHEMBL1621890 0.75 APP (0.56) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL29161478 0.75 APP (0.68) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL9728830 0.75 ADORA3 (0.58) APPADORA3KDM4EALDH1A1HPGD
SCHEMBL3344881 0.73 APP (0.54) APPADORA3KDM4EALDH1A1HPGD

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-20260021149-A1 METHOD FOR TREATMENT OF TUMOR BY USING RECOMBINANT ONCOLYTIC VIRUS IN COMBINATION WITH SMALL-MOLECULE ANTICANCER DRUG JOINT BIOSCIENCES SH LTD (CN) 2026-01-22 US disclosed
WO-2025020545-A1 METHOD FOR TREATMENT OF TUMOR BY USING RECOMBINANT ONCOLYTIC VIRUS IN COMBINATION WITH SMALL-MOLECULE ANTICANCER DRUG 上海荣瑞医药科技有限公司 2025-01-30 WO 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-20260021149-A1 METHOD FOR TREATMENT OF TUMOR BY USING RECOMBINANT ONCOLYTIC VIRUS IN COMBINATION WITH SMALL-MOLECULE ANTICANCER DRUG ERBB2, BTK, ERBB3 APP 3132/4885ADORA3 3648/4885KDM4E 606/4885

“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.