SCHEMBL4101052

SCHEMBL4101052

CCOc1cccc(Nc2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.46
ABCB1 P08183 3/20 0.46
EGFR P00533 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BRAF P15056 2/20 0.42
TSHR P16473 1/20 0.42
SYK P43405 1/20 0.41
NOS1 P29475 1/20 0.40
RAF1 P04049 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
ABCC1 P33527 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL4107819 0.90 MEN1 (0.46) ABCG2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3921857 0.85 EGFR (0.47) ABCG2ABCB1EGFRKDM4ESMN1; SMN2
SCHEMBL4118617 0.85 SMN1; SMN2 (0.43) ABCG2KDM4ESMN1; SMN2HSD17B10PDE4A
SCHEMBL4102484 0.85 PDE4A (0.50) ABCG2ABCB1EGFRKDM4ESMN1; SMN2
SCHEMBL4101827 0.85 EGFR (0.62) ABCG2ABCB1EGFRKDM4EPDE4A
SCHEMBL3994939 0.85 ABCG2 (0.57) ABCG2ABCB1EGFRMEN1KMT2A
SCHEMBL4113225 0.85 EGFR (0.47) ABCG2ABCB1EGFRKDM4ESMN1; SMN2
SCHEMBL3934220 0.81 PDE4A (0.48) ABCG2ABCB1EGFRKDM4ESMN1; SMN2
SCHEMBL4119338 0.81 PDE4A (0.47) ABCG2ABCB1EGFRKDM4ESMN1; SMN2
SCHEMBL4116415 0.81 PDE4A (0.51) ABCG2ABCB1EGFRKDM4ESMN1; 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 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 ABCG2 1642/4885ABCB1 790/4885EGFR 3724/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ABCG2 1642/4885ABCB1 790/4885EGFR 3724/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ABCG2 1642/4885ABCB1 790/4885EGFR 3724/4885

“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.