SCHEMBL10275893

SCHEMBL10275893

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)[nH]c2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ARF6 P62330 4/20 0.41
KDM4E B2RXH2 3/20 0.39
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
CRHR1 P34998 6/20 0.37
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10275395 0.87 ARF6 (0.43) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10275459 0.85 ARF6 (0.43) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10313835 0.85 ARF6 (0.56) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10313476 0.85 CRHR1 (0.39) DPP4DPP8KDM4ECRHR1
SCHEMBL10275640 0.85 ARF6 (0.53) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10275442 0.84 ARF6 (0.41) DPP4ARF6KDM4ECRHR1PSD
SCHEMBL10275764 0.83 CRHR1 (0.43) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10275796 0.83 CYP3A4 (0.41) CYP3A4DPP4DPP8DPP9ARF6
SCHEMBL10276296 0.83 PSD (0.52) ARF6KDM4ECRHR1KMT2AHPGD
SCHEMBL10276431 0.82 ARF6 (0.45) DPP4ARF6KDM4EKMT2AHPGD

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 CYP3A4 33/4885DPP4 348/4885DPP8 547/4885

“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.