SCHEMBL4112486

SCHEMBL4112486

COc1ccc(-c2ccc3ncncc3n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
FGFR4 P22455 1/20 0.48
ACACA Q13085 1/20 0.47
FYN P06241 2/20 0.45
EGFR P00533 1/20 0.44
MAPT P10636 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL4113208 0.91 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4114410 0.91 SMN1; SMN2 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4113678 0.90 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4100971 0.89 PDGFRB (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4108596 0.88 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4111880 0.88 FYN (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4106517 0.88 FGFR4 (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4108135 0.86 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4113268 0.86 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4525936 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 3 patents. 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
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (3 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885

“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.