SCHEMBL10280465

SCHEMBL10280465

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)[nH]c2c1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
AR P10275 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ARF6 P62330 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.35
EGFR P00533 1/20 0.34
CRHR1 P34998 1/20 0.34
KCNH2 Q12809 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL10275216 0.87 GCGR (0.38) GCGRMAPK14ARARF6PDE3B
SCHEMBL10276014 0.87 PGR (0.38) GCGRMAPK14PGRNR3C2ARF6
SCHEMBL10276268 0.86 ARF6 (0.48) GCGRMAPK14ARARF6PDE3B
SCHEMBL10275610 0.85 PLAT (0.42) GCGRMAPK14ARARF6PDE3B
SCHEMBL10276122 0.85 PLAT (0.40) GCGRPGRNR3C2ARF6PDE3B
SCHEMBL10276073 0.85 ALDH1A1 (0.44) GCGRMAPK14ARPGRNR3C2
SCHEMBL10275663 0.85 ARF6 (0.47) GCGRMAPK14ARARF6PDE3B
SCHEMBL10276143 0.83 MAPK14 (0.33) MAPK14ARPGRNR3C2ARF6
SCHEMBL10275295 0.83 MAPK14 (0.37) GCGRMAPK14ARPGRNR3C2
SCHEMBL10275893 0.82 CYP3A4 (0.41) ARF6KDM4EALDH1A1GAAKMT2A

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
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US 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 GCGR 2747/4885MAPK14 2663/4885AR 3221/4885

“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.