SCHEMBL10276239

SCHEMBL10276239

Cc1ccc(-c2ccc(F)cc2F)cc2[nH]c(N(C)c3ccc(C#N)cc3)cc(=O)n2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KDM1A O60341 1/20 0.33
AR P10275 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
TDP2 O95551 1/20 0.31
MDM2 Q00987 1/20 0.31
PSD A5PKW4 1/20 0.31
TYMP P19971 1/20 0.31
MAPK14 Q16539 2/20 0.30
GAA P10253 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
KCNH2 Q12809 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
SCHEMBL10275912 0.74 GCGR (0.36) PDE3BPDE3AKDM1AARPARP1
SCHEMBL10276545 0.73 ALDH1A1 (0.39) PDE3BPDE3ATDP2MAPK14
SCHEMBL10276143 0.72 MAPK14 (0.33) PDE3BPDE3AKDM1AARTDP2
SCHEMBL10275827 0.71 ALDH1A1 (0.47) MAPK14GAA
SCHEMBL10276041 0.63 MAPK14 (0.35) ARMAPK14FNTAFNTBPGGT1B
SCHEMBL10275285 0.62 MAPK14 (0.35) PDE3BPDE3AARMAPK14FNTA
SCHEMBL10276420 0.62 AR (0.34) ARMAPK14FNTAFNTBPGGT1B
SCHEMBL10275638 0.61 KCNH2 (0.36) PDE3BPDE3AKDM1AARPARP1
SCHEMBL10280465 0.61 GCGR (0.40) PDE3BPDE3AKDM1AARPARP1
SCHEMBL10275642 0.61 PDE3B (0.37) PDE3BPDE3AKDM1AARTDP2

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 1 patent. 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

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 PDE3B 2361/4885PDE3A 2182/4885KDM1A 3996/4885

“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.