SCHEMBL10275845

SCHEMBL10275845

CC1=NN2C(=O)C=C(c3ccc(C#N)cc3)N(C)C2C=C1c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
NSD2 O96028 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA1 P14867 4/20 0.33
KDM1A O60341 3/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MAPK14 Q16539 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KCNH2 Q12809 2/20 0.30
NR3C2 P08235 3/20 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
SCHEMBL10275487 0.85 AR (0.33) ARNSD2FNTAFNTBPGGT1B
SCHEMBL10275485 0.85 AR (0.33) ARNSD2FNTAFNTBPGGT1B
SCHEMBL10275359 0.80 PDE3B (0.36) ARNSD2FNTAFNTBPGGT1B
SCHEMBL10275427 0.73 BRD4 (0.36) FNTAFNTBPGGT1BKDM1AMAPK14
SCHEMBL10275600 0.70 KDM1A (0.34) ARFNTAFNTBPGGT1BGABRG2
SCHEMBL10275729 0.69 KDM1A (0.37) ARNSD2FNTAFNTBPGGT1B
SCHEMBL10313490 0.69 AR (0.33) ARNSD2FNTAFNTBPGGT1B
SCHEMBL10275577 0.68 PDE3B (0.35) ARGABRG2GABRB3GABRA5GABRA3
SCHEMBL10276214 0.68 PDE3B (0.35) ARFNTAFNTBPGGT1BGABRG2
SCHEMBL10275691 0.68 PDE3B (0.35) ARFNTAFNTBPGGT1BGABRG2

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 AR 3221/4885NSD2 3880/4885FNTA 3998/4885

“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.