SCHEMBL10313588

SCHEMBL10313588

[C-]#[N+]c1ccc(C2=NC(=O)n3nc(C)c(-c4ccc(Cl)cc4Cl)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
CRHR1 P34998 13/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MARS1 P56192 1/20 0.35
HSD11B1 P28845 1/20 0.34
DPP4 P27487 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL10275587 0.83 CYP3A4 (0.42) OPRM1CRHR1OPRD1OPRK1MARS1
SCHEMBL10313503 0.80 KDM4E (0.31)
SCHEMBL10275928 0.67 DPP4 (0.44) OPRM1CRHR1OPRD1OPRK1HSD11B1
SCHEMBL10275622 0.65 PDE4A (0.38) OPRM1
SCHEMBL10275240 0.62 KMT2A (0.46) CRHR1
SCHEMBL12826181 0.60 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL10313479 0.59 CRHR1 (0.52) CRHR1DPP4DPP8
SCHEMBL10275805 0.59 MEN1 (0.46) CRHR1
SCHEMBL10275326 0.58 AR (0.46)
SCHEMBL10275434 0.58 KIF11 (0.46) CNR1

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 OPRM1 346/4885CRHR1 1464/4885OPRD1 555/4885

“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.