SCHEMBL4525936

SCHEMBL4525936

COc1ccc(-c2ccc3nc(N)ncc3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADORA1 P30542 1/20 0.52
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
DHFR P00374 3/20 0.46
ACACA Q13085 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KIT P10721 1/20 0.45
HTT P42858 1/20 0.45
FYN P06241 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
AURKB Q96GD4 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
SCHEMBL5468571 0.82 NOS1 (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4112486 0.79 KDM4E (0.57) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3044785 0.78 KMO (0.55) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3921216 0.78 MAP4K4 (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28866586 0.77 ALDH1A1 (0.67) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4340382 0.77 KDM4E (0.51) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14983458 0.75 ADORA1 (0.55) KDM4EADORA1PDGFRBPDGFRADHFR
SCHEMBL3603734 0.74 KDM4E (0.48) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29149165 0.74 NPC1 (0.66) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2067570 0.73 KIT (0.51) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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 (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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885NPC1 2905/4885ALDH1A1 1225/4885

“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.