SCHEMBL13439764

SCHEMBL13439764

Bc1cc2c(C)nc(SC)nc2n(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.43
PDE1C Q14123 6/20 0.43
PDE1A P54750 5/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRCA1 P38398 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DCTPP1 Q9H773 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2019618 0.87 PDE1B (0.43) PDE1BPDE1CPDE1AMAPTTHRB
SCHEMBL1986657 0.84 SMN1; SMN2 (0.46) MAPTTHRBALDH1A1SMN1; SMN2KDM4E
SCHEMBL15580732 0.79 KDM4E (0.44) ALDH1A1SMN1; SMN2HSD17B10KDM4ERXFP1
SCHEMBL3330739 0.75 KDM4E (0.45) THRBALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL14234457 0.72 ALDH1A1 (0.46) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL16422358 0.72 DCTPP1 (0.52) PDE1BPDE1CPDE1AMAPTALDH1A1
SCHEMBL14234087 0.72 ALDH1A1 (0.38) MAPTALDH1A1TSHRKDM4ERXFP1
SCHEMBL3325418 0.72 ALDH1A1 (0.50) MAPTTHRBALDH1A1TSHRSMN1; SMN2
SCHEMBL21804847 0.71 CNR2 (0.44) PDE1BPDE1CPDE1AALDH1A1USP2
SCHEMBL31532042 0.71 PDE1B (0.43) PDE1BPDE1CPDE1AMAPTTHRB

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-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PDE1B 1196/4885PDE1C 1273/4885PDE1A 1035/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PDE1B 1196/4885PDE1C 1273/4885PDE1A 1035/4885

“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.