SCHEMBL10276415

SCHEMBL10276415

CCc1nn2c(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3[nH]c2c1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 4/20 0.38
TRPV1 Q8NER1 3/20 0.36
GSK3B P49841 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
CTSS P25774 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
DDR1 Q08345 2/20 0.33
MCHR1 Q99705 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL10275519 0.88 ARF6 (0.39) ARF6TRPV1TNKS2CA12CA9
SCHEMBL10275869 0.87 FLT3 (0.38) ARF6TNKS2
SCHEMBL10276150 0.85 KDM4E (0.42) ARF6TRPV1TNKS2CTSS
SCHEMBL10275393 0.84 ARF6 (0.35) ARF6CTSS
SCHEMBL10313546 0.83 ARF6 (0.41) ARF6TRPV1TNKS2CA12CA9
SCHEMBL10275932 0.80 ALDH1A1 (0.39)
SCHEMBL10276351 0.79 TRPV1 (0.37) ARF6TRPV1TNKS2CA12CA9
SCHEMBL10276262 0.77 ARF6 (0.49) ARF6
SCHEMBL10275534 0.77 TNKS2 (0.40) ARF6TNKS2
SCHEMBL10275606 0.77 CA12 (0.43) TRPV1GSK3BCA12CA9MCHR1

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 ARF6 3355/4885TRPV1 4415/4885GSK3B 563/4885

“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.