SCHEMBL10275312

SCHEMBL10275312

Cc1nn2c(=O)cc(-c3ccc(C(F)(F)F)nc3)[nH]c2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ARF6 P62330 4/20 0.38
PSD A5PKW4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HTT P42858 1/20 0.35
CRHR1 P34998 5/20 0.35
F9 P00740 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HSD11B1 P28845 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL10275442 0.87 ARF6 (0.41) CNR1ARF6PSDKDM4EHTT
SCHEMBL10313475 0.83 ALPL (0.41) CNR1KDM5BPTGS1PTGS2PDE3B
SCHEMBL10276231 0.82 CNR1 (0.41) CNR1KDM5B
SCHEMBL10276296 0.80 PSD (0.52) ARF6PSDKDM4EHTTCRHR1
SCHEMBL10313476 0.80 CRHR1 (0.39) KDM4ECRHR1
SCHEMBL10275893 0.79 CYP3A4 (0.41) ARF6PSDKDM4ECRHR1
SCHEMBL12826181 0.76 CRHR1 (0.44) KDM4ECRHR1HSD11B1
SCHEMBL10275250 0.75 ARF6 (0.42) CNR1ARF6
SCHEMBL10275199 0.74 ARF6 (0.36) CNR1ARF6PSDKDM5BPTGS1
SCHEMBL13515966 0.74 MAPT (0.46) KDM4EHTTCRHR1

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 CNR1 877/4885ARF6 3355/4885PSD 591/4885

“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.