SCHEMBL4122918

SCHEMBL4122918

c1cnc2cnc(-c3ccoc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.44
CYP3A4 P08684 15/20 0.44
CYP2D6 P10635 14/20 0.44
MEN1 O00255 12/20 0.44
KMT2A Q03164 12/20 0.44
HSD17B10 Q99714 12/20 0.44
ALDH1A1 P00352 12/20 0.44
CYP2C19 P33261 11/20 0.44
USP2 O75604 11/20 0.44
CLK4 Q9HAZ1 10/20 0.44
ALOX15 P16050 8/20 0.44
MAPT P10636 6/20 0.44
TDP1 Q9NUW8 4/20 0.44
NT5E P21589 1/20 0.44
LMNA P02545 6/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 4/20 0.43
TP53 P04637 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL30181280 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL13327687 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL30523855 0.78 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4107384 0.78 NPC1 (0.56) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4116432 0.76 PDGFRB (0.47) CYP1A2MEN1KMT2AALDH1A1USP2
SCHEMBL4119429 0.75 CYP2A6 (0.60) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL18952015 0.74 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3923034 0.73 MAPK14 (0.45) CYP1A2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL3922874 0.71 NPC1 (0.41) ALDH1A1MAPTLMNA
SCHEMBL3997209 0.71 NPC1 (0.54) CYP3A4ALDH1A1CYP2C19KDM4EPPARA

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-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 (2 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 CYP1A2 223/4885CYP3A4 377/4885CYP2D6 88/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CYP1A2 223/4885CYP3A4 377/4885CYP2D6 88/4885

“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.