SCHEMBL10275313

SCHEMBL10275313

CC1=NN2C(=O)C=C(c3ccc(C#N)cc3)NC2C=C1c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HSD11B1 P28845 1/20 0.32
GSK3B P49841 1/20 0.31
KDM1A O60341 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MDM2 Q00987 2/20 0.31

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
SCHEMBL10275124 0.85 KDM4E (0.34) KDM4EKMT2ACYP3A4DPP4DPP8
SCHEMBL10275122 0.85 KDM4E (0.34) KDM4EKMT2ACYP3A4DPP4DPP8
SCHEMBL10313496 0.83 ALDH1A1 (0.35) KDM1A
SCHEMBL10313595 0.82 ATM (0.34) KMT2AMEN1BRD4
SCHEMBL10275578 0.79 SIRT5 (0.40)
SCHEMBL10276240 0.79 KIF11 (0.40) KDM1AMDM2
SCHEMBL10275729 0.72 KDM1A (0.37) KDM1AMDM2NSD2
SCHEMBL10275692 0.71 KDM4E (0.35) KDM4EKMT2ACYP3A4DPP4DPP8
SCHEMBL10313719 0.71 CNR2 (0.34) CNR2
SCHEMBL10275580 0.71 KDM4E (0.35) KDM4EKMT2ACYP3A4DPP4DPP8

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 KDM4E 3483/4885KMT2A 4649/4885CYP3A4 33/4885

“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.