SCHEMBL2017114

SCHEMBL2017114

CON(C)C(=O)c1nc2sccn2c1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
MAPK8 P45983 4/20 0.37
MAPK9 P45984 4/20 0.37
CSNK1D P48730 4/20 0.37
PRKD2 Q9BZL6 4/20 0.37
PRKD3 O94806 3/20 0.37
MAP4K4 O95819 3/20 0.37
FGFR1 P11362 3/20 0.37
ERBB4 Q15303 3/20 0.37
MINK1 Q8N4C8 3/20 0.37
CSNK1A1 P48729 2/20 0.37
FRK P42685 2/20 0.37
CSNK1G1 Q9HCP0 2/20 0.37

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
SCHEMBL2245302 0.81 PTGS2 (0.43) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19700527 0.77 HPGD (0.46) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2248004 0.76 ALDH1A1 (0.45) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2247556 0.71 TRPM8 (0.43) KDM4EHPGDALDH1A1TRPM8POLB
SCHEMBL2036111 0.70 TRPM8 (0.49) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL16039645 0.70 TRPM8 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10TRPM8
SCHEMBL2036689 0.69 MAPK8 (0.41) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2013175 0.67 TRPM8 (0.45) TRPM8MAP4K4GSK3BDYRK1AABL1
SCHEMBL16039095 0.67 TRPM8 (0.47) KDM4EALDH1A1SMN1; SMN2TRPM8DYRK1A
SCHEMBL2015181 0.66 TRPM8 (0.47) KDM4EHPGDALDH1A1SMN1; SMN2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
WO-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (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-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 KDM4E 1889/4885HPGD 2447/4885ALDH1A1 3846/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 KDM4E 1889/4885HPGD 2447/4885ALDH1A1 3846/4885

“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.