SCHEMBL9928889

SCHEMBL9928889

COc1c(C(C)N)cc(Cl)c(F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL9929044 0.84 PDE2A (0.35) CYP1A2CYP2D6ALDH1A1CA2CA4
SCHEMBL9928957 0.82 LMNA (0.37) LMNATP53HTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9929353 0.81 LMNA (0.36) LMNATP53HTTCYP1A2CYP3A4
SCHEMBL9929288 0.77 ACLY (0.33)
SCHEMBL9952480 0.75 PDE2A (0.33) CA2CA4
SCHEMBL22646842 0.75 LMNA (0.39) LMNATP53HTTCYP1A2CYP3A4
SCHEMBL1747991 0.75 LMNA (0.39) LMNATP53HTTCYP1A2CYP3A4
SCHEMBL9928940 0.71 LMNA (0.39) LMNATP53HTTCA2CA4
SCHEMBL20681148 0.70 LMNA (0.36) LMNA
SCHEMBL12813061 0.70 LMNA (0.38) LMNATP53HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
US-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
US-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
US-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 US disclosed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 US disclosed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 US disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 WO disclosed
WO-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 WO disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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 (4 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB LMNA 3738/4885TP53 977/4885HTT 2166/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB LMNA 3738/4885TP53 977/4885HTT 2166/4885
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB LMNA 4837/4885TP53 1246/4885HTT 4568/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB LMNA 3738/4885TP53 977/4885HTT 2166/4885

“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.