SCHEMBL2018019

SCHEMBL2018019

CC(N)c1nc2ccccn2c1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
KMT2A Q03164 2/20 0.41
PLAU P00749 1/20 0.40
USP7 Q93009 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDE10A Q9Y233 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL17718397 0.85 USP7 (0.47) PIK3CDUSP7ALDH1A1KDM4ECYP1A2
SCHEMBL16038490 0.82 PDE4B (0.35) PIK3CDCYP3A4PIK3CABACE1BACE2
SCHEMBL12629375 0.81 TRPA1 (0.44) PIK3CDKDM4ESMN1; SMN2PIK3CA
SCHEMBL2038092 0.79 PTGS2 (0.37) PIK3CDKMT2AKDM4EMEN1ADORA2A
SCHEMBL2034647 0.76 NR1H3 (0.53) PIK3CDADORA2A
SCHEMBL2054056 0.75 PIK3CD (0.54) PIK3CD
SCHEMBL2504442 0.75 PIK3CD (0.55) PIK3CDPIK3CA
SCHEMBL2038398 0.74 KMT2A (0.48) KMT2APLAUUSP7ALDH1A1KDM4E
SCHEMBL3229303 0.74 KDM4E (0.45) PIK3CDUSP7ALDH1A1KDM4ECYP1A2
SCHEMBL3229297 0.74 KDM4E (0.45) PIK3CDUSP7ALDH1A1KDM4ECYP1A2

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 PIK3CD 2/4885KMT2A 2302/4885PLAU 4727/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885KMT2A 2302/4885PLAU 4727/4885

“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.