SCHEMBL10275941

SCHEMBL10275941

CC1=C(c2ccc(F)cc2F)C=C2N(C)C(c3ccc(C#N)cc3)=CC(=O)N2N1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.34
AR P10275 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KDM1A O60341 2/20 0.33
MAPK14 Q16539 1/20 0.32
KCNH2 Q12809 1/20 0.32
NSD2 O96028 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
GABRG2 P18507 4/20 0.31
GABRB3 P28472 4/20 0.31
GABRA5 P31644 4/20 0.31
GABRA3 P34903 4/20 0.31
GABRA1 P14867 3/20 0.31
BRD4 O60885 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
SCHEMBL10275638 0.79 KCNH2 (0.36) MDM2ARPDE3BPDE3AKDM1A
SCHEMBL10275854 0.77 PARK7 (0.31)
SCHEMBL10275675 0.72 KCNH2 (0.33) MAPK14KCNH2FNTAFNTBPGGT1B
SCHEMBL10275600 0.72 KDM1A (0.34) MDM2ARPDE3BPDE3AKDM1A
SCHEMBL10313880 0.71 BRD4 (0.38) MAPK14KCNH2BRD4
SCHEMBL10275678 0.71 BRD4 (0.39) MAPK14KCNH2BRD4
SCHEMBL10276350 0.69 PDE3B (0.34) MDM2ARPDE3BPDE3AKDM1A
SCHEMBL10276004 0.69 KCNH2 (0.37) MDM2ARPDE3BPDE3AKDM1A
SCHEMBL10275845 0.67 AR (0.34) ARPDE3BPDE3AKDM1AMAPK14
SCHEMBL10276333 0.67 ADORA1 (0.33) MDM2ARPDE3BPDE3AKDM1A

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 MDM2 1976/4885AR 3221/4885PDE3B 2361/4885

“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.