SCHEMBL10313481

SCHEMBL10313481

Cc1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(Cl)cc3Cl)c(-c3cccc(CO)c3)nn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 6/20 0.41
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CNR1 P21554 5/20 0.36
KMT2A Q03164 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
MAPK14 Q16539 1/20 0.34
TDP2 O95551 1/20 0.34
CNR2 P34972 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL10276039 0.89 ARF6 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275181 0.87 MEN1 (0.38) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275511 0.82 ARF6 (0.43) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275796 0.82 CYP3A4 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10276119 0.81 ARF6 (0.42) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275540 0.78 ARF6 (0.51) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275490 0.75 ARF6 (0.41) ARF6DPP4CNR1MAPK14CNR2
SCHEMBL10275435 0.74 ALDH1A1 (0.42) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275641 0.73 PLAT (0.40) ARF6KMT2AKDM4EMEN1MAPK14
SCHEMBL10275459 0.72 ARF6 (0.43) ARF6CYP3A4DPP4DPP8DPP9

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 ARF6 3355/4885CYP3A4 33/4885DPP4 348/4885

“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.