SCHEMBL2246830

SCHEMBL2246830

CCc1nn2ccccc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.35
PDE5A O76074 3/20 0.34
PDE4B Q07343 3/20 0.34
PIK3CD O00329 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HDAC1 Q13547 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
SCHEMBL2037441 0.76 PDE4B (0.46) EGFRRAF1ADORA3ADORA2AADORA2B
SCHEMBL12357193 0.75 PDE4B (0.43) EGFRRAF1ADORA3ADORA2AADORA2B
SCHEMBL4867464 0.74 MAPK14 (0.46) EGFRRAF1ADORA3ADORA2AADORA2B
SCHEMBL5847660 0.73 EGFR (0.41) EGFRADORA2AADORA1LMNAHPGD
Hydrochloric Acid SCHEMBL38663344 0.72 EGFR (0.41) EGFRADORA2AADORA1LMNAHPGD
SCHEMBL15826874 0.72 PDE4B (0.38) EGFRRAF1ADORA3ADORA2AADORA2B
SCHEMBL5422714 0.72 MAPK14 (0.41) EGFRRAF1ADORA3ADORA2AADORA2B
SCHEMBL23382438 0.72 HDAC1 (0.46) EGFRADORA2AADORA1LMNAHPGD
SCHEMBL6489306 0.72 DRD2 (0.39) EGFRADORA2AADORA1MAPTLMNA
SCHEMBL2012799 0.70 DRD4 (0.38) EGFRRAF1ADORA3ADORA2AADORA2B

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 EGFR 574/4885RAF1 112/4885ADORA3 3520/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 EGFR 574/4885RAF1 112/4885ADORA3 3520/4885

“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.