SCHEMBL10276323

SCHEMBL10276323

CC1=C(c2ccc(Cl)cc2Cl)C=C2NC(c3ccc(C#N)cc3)=CC(=O)N2N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TRPV4 Q9HBA0 7/20 0.34
KMT2A Q03164 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CYP3A4 P08684 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MDM2 Q00987 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
GSK3B P49841 1/20 0.30
HSD17B3 P37058 1/20 0.30
MAP2 P11137 1/20 0.30

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
SCHEMBL10276312 0.77 AR (0.39)
SCHEMBL10276350 0.71 PDE3B (0.34) MDM2
SCHEMBL10275692 0.70 KDM4E (0.35) KDM4ETRPV4KMT2ATRPM8CYP3A4
SCHEMBL10275313 0.67 KDM4E (0.35) KDM4EKMT2ACYP3A4DPP4DPP8
SCHEMBL10276695 0.67 KIF11 (0.33) KDM4ETRPV4KMT2AGAAHSD11B1
SCHEMBL10275580 0.67 KDM4E (0.35) KDM4ETRPV4KMT2ACYP3A4DPP4
SCHEMBL10276326 0.67 CYP3A4 (0.36) KDM4ETRPV4KMT2ATRPM8CYP3A4
SCHEMBL10275122 0.66 KDM4E (0.34) KDM4ETRPV4KMT2ACYP3A4DPP4
SCHEMBL10275124 0.66 KDM4E (0.34) KDM4ETRPV4KMT2ACYP3A4DPP4
SCHEMBL10275941 0.63 MDM2 (0.34) MDM2

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
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 KDM4E 3483/4885TRPV4 3820/4885KMT2A 4649/4885

“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.