SCHEMBL10275945

SCHEMBL10275945

CC1=C(c2ccc(F)cc2F)N2C(=NC1)C(=O)C=C(c1ccc(C#N)cc1)N2C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
GABRG2 P18507 7/20 0.33
GABRB3 P28472 7/20 0.33
GABRA5 P31644 7/20 0.33
GABRA3 P34903 7/20 0.33
GABRA1 P14867 6/20 0.33
KDM1A O60341 3/20 0.33
NSD2 O96028 1/20 0.32
MAPK14 Q16539 1/20 0.31
MIF P14174 1/20 0.30
KCNH2 Q12809 1/20 0.30
GABRA2 P47869 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
SCHEMBL10275642 0.80 PDE3B (0.37) ARPDE3BPDE3AFNTAFNTB
SCHEMBL10275681 0.73 BRD4 (0.38) FNTAFNTBMAPK14KCNH2
SCHEMBL10276043 0.73 FNTA (0.34) FNTAFNTBPGGT1BKCNH2
SCHEMBL10276009 0.71 PDE3B (0.36) ARPDE3BPDE3AFNTAFNTB
SCHEMBL10276352 0.69 PDE3B (0.36) ARPDE3BPDE3AGABRG2GABRB3
SCHEMBL10276335 0.69 PDE3B (0.36) ARPDE3BPDE3AFNTAFNTB
SCHEMBL10276696 0.67 KIF11 (0.34) ARPDE3BPDE3AKDM1AKCNH2
SCHEMBL10276045 0.65 APP (0.35) ARMAPK14
SCHEMBL10275775 0.65 ALOX5AP (0.33) PDE3BPDE3A
SCHEMBL10275485 0.63 AR (0.33) ARPDE3BPDE3AFNTAFNTB

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 AR 3221/4885PDE3B 2361/4885PDE3A 2182/4885

“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.