SCHEMBL10275540

SCHEMBL10275540

Cc1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(Cl)cc3Cl)c(C3CC3)nn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 10/20 0.51
CYP3A4 P08684 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
PSD A5PKW4 2/20 0.38
PLAT P00750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
KDM1A O60341 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FASN P49327 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
SCHEMBL27949767 0.88 ARF6 (0.47) ARF6CYP3A4DPP4KDM4EKMT2A
SCHEMBL10275796 0.87 CYP3A4 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275917 0.86 ARF6 (0.50) ARF6PLATCNR1CNR2
SCHEMBL10275511 0.85 ARF6 (0.43) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275156 0.84 ARF6 (0.45) ARF6PLATKDM1A
SCHEMBL10276119 0.84 ARF6 (0.42) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10276039 0.83 ARF6 (0.41) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10275640 0.83 ARF6 (0.53) ARF6CYP3A4DPP4DPP8DPP9
SCHEMBL10276011 0.81 ARF6 (0.41) ARF6
SCHEMBL10275181 0.78 MEN1 (0.38) 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 3 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

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.