SCHEMBL10275823

SCHEMBL10275823

Cc1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 8/20 0.46
MAPK14 Q16539 3/20 0.35
GCGR P47871 2/20 0.35
MAPK13 O15264 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
AR P10275 1/20 0.34
PLAT P00750 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
KDM1A O60341 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL10275295 0.89 MAPK14 (0.37) ARF6MAPK14GCGRMAPK13ALOX5
SCHEMBL10313819 0.87 ARF6 (0.44) ARF6MAPK14GCGRALOX5PARP1
SCHEMBL10276075 0.85 PARP1 (0.36) ARF6MAPK14GCGRMAPK13ALOX5
SCHEMBL10275641 0.85 PLAT (0.40) ARF6MAPK14GCGRMAPK13ALOX5
SCHEMBL10275156 0.84 ARF6 (0.45) ARF6MAPK14GCGRPARP1PARP2
SCHEMBL10276262 0.83 ARF6 (0.49) ARF6PARP1PARP2PLATPDE3B
SCHEMBL10275630 0.82 ARF6 (0.38) ARF6PARP1PARP2PLAT
SCHEMBL10276268 0.82 ARF6 (0.48) ARF6MAPK14GCGRPARP1PARP2
SCHEMBL10275273 0.80 PLAT (0.40) ARF6PLATPDE3BPDE3A
SCHEMBL10313845 0.80 ARF6 (0.39) ARF6MAPK14ARGABRA1GABRG2

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 ARF6 3355/4885MAPK14 2663/4885GCGR 2747/4885

“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.