SCHEMBL10276039

SCHEMBL10276039

Cc1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(Cl)cc3Cl)c(-c3ccccc3)nn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 4/20 0.41
CYP3A4 P08684 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CNR1 P21554 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 1/20 0.35
CNR2 P34972 2/20 0.35
IDO1 P14902 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10275181 0.89 MEN1 (0.38) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10313481 0.89 ARF6 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275796 0.88 CYP3A4 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275511 0.86 ARF6 (0.43) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275490 0.86 ARF6 (0.41) ARF6DPP4MAPK13RAF1MAPK12
SCHEMBL10276119 0.85 ARF6 (0.42) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275641 0.84 PLAT (0.40) ARF6MAPK13RAF1MAPK12MAPK11
SCHEMBL10275540 0.83 ARF6 (0.51) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275459 0.83 ARF6 (0.43) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10276160 0.81 ARF6 (0.35) ARF6CNR1HSD11B1

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 4 patents. 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 claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO 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.