SCHEMBL2245302

SCHEMBL2245302

CC(=O)c1nc2sccn2c1-c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 3/20 0.43
MAPK8 P45983 5/20 0.42
MAPK9 P45984 5/20 0.42
CSNK1D P48730 5/20 0.42
PRKD2 Q9BZL6 5/20 0.42
PRKD3 O94806 4/20 0.42
MAP4K4 O95819 4/20 0.42
FGFR1 P11362 4/20 0.42
ERBB4 Q15303 4/20 0.42
MINK1 Q8N4C8 4/20 0.42
MAP3K20 Q9NYL2 3/20 0.42
CSNK1A1 P48729 2/20 0.42
FRK P42685 2/20 0.42
CSNK1G1 Q9HCP0 2/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
PRKCD Q05655 1/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL2017114 0.81 KDM4E (0.41) PTGS2PTGS1MAPK8MAPK9CSNK1D
SCHEMBL637327 0.70 TDP1 (0.55) KDM4ESMN1; SMN2ALDH1A1HSD17B10MAPK1
SCHEMBL976669 0.66 PIK3CD (0.47) PTGS2PTGS1MAPK8MAPK9CSNK1D
SCHEMBL2041772 0.66 GRM5 (0.41) KDM4EHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL2338659 0.64 MAPK1 (0.65) MAPK1CYP1A2TDP1ALOX12ALOX15
SCHEMBL13551557 0.63 KDR (0.45) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6890415 0.63 KDM4E (0.41) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3762990 0.63 ALDH1A1 (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14842599 0.63 ALDH1A1 (0.42) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1339860 0.62 CYP1A2 (0.47) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10

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 13 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

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 PTGS2 925/4885PTGS1 776/4885MAPK8 310/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 PTGS2 925/4885PTGS1 776/4885MAPK8 310/4885

“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.