SCHEMBL15915342

SCHEMBL15915342

CC(C)(C)Nc1ncc(-c2cccc(-c3ccccc3)c2F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ CDK2 P24941 7/20 0.40
▸ CCNE2 O96020 6/20 0.40
▸ CCNE1 P24864 6/20 0.40
▸ CDK4 P11802 4/20 0.40
▸ CCND1 P24385 4/20 0.40
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39

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
SCHEMBL17362247 0.86 PRKD3 (0.41) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL17362342 0.84 PRKD3 (0.42) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL17362228 0.84 SCN9A (0.46) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL17362185 0.81 ALOX5AP (0.42) ALOX5APFEN1PRKD3MAP4K4PAK4
SCHEMBL17362410 0.75 ALOX5AP (0.40) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL17362110 0.74 PDCD1 (0.40) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL17362411 0.74 ALOX5AP (0.45) ALOX5APFEN1PRKD3MAP4K4PAK4
SCHEMBL17362334 0.74 ALOX5AP (0.39) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL15915917 0.72 ENPP1 (0.39) ALOX5APFEN1CDK2CCNE2CCNE1
SCHEMBL15917307 0.72 CD274 (0.47) ALOX5APFEN1CDK2CCNE2CCNE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 — — US disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 — — US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 — — US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 — — 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 (2 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-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R ALOX5AP 80/4885FEN1 2/4885CDK2 1561/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R ALOX5AP 80/4885FEN1 2/4885CDK2 1561/4885

“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.

Send feedback