SCHEMBL9952471

SCHEMBL9952471

COc1c(C(C)NC(=O)O)cc(Cl)c(C)c1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 5/20 0.34
IMPDH2 P12268 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TPMT P51580 1/20 0.34
HPGD P15428 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 3/20 0.34
MAPT P10636 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
SCHEMBL20816035 1.00 HSD17B10 (0.35) HSD17B10ALDH1A1IMPDH2CYP1A2CYP3A4
SCHEMBL22047642 0.85 AAK1 (0.40) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL9967834 0.85 AAK1 (0.40) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL16945979 0.83 IMPDH2 (0.35) HSD17B10ALDH1A1IMPDH2KDM4EGAA
SCHEMBL9952752 0.80 IMPDH2 (0.35) HSD17B10ALDH1A1IMPDH2KDM4EGAA
SCHEMBL9929298 0.79 PDE2A (0.33) HSD17B10ALDH1A1IMPDH2CYP1A2CYP2C19
SCHEMBL16945978 0.79 PIK3CD (0.44) ALDH1A1IMPDH2PIK3CD
SCHEMBL14736533 0.77 CA2 (0.33) GAAPIK3CD
SCHEMBL9952989 0.77 PIK3CD (0.41) ALDH1A1IMPDH2KDM4EGAATPMT
SCHEMBL9952276 0.77 ALDH1A1 (0.33) HSD17B10ALDH1A1IMPDH2KDM4EGAA

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-11999751-B2 Bicyclic heteroarylaminoalkyl phenyl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2024-06-04 US disclosed
US-20220177491-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2022-06-09 US disclosed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
US-10479803-B2 Bicyclic heteroarylaminoalkyl phenyl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2019-11-19 US 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-20190084997-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2019-03-21 US 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-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 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-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 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 (6 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-11999751-B2 Bicyclic heteroarylaminoalkyl phenyl derivatives as PI3K inhibitors PIK3CA, PIK3CD, PIK3R1 HSD17B10 1095/4885ALDH1A1 2241/4885IMPDH2 2137/4885
US-10479803-B2 Bicyclic heteroarylaminoalkyl phenyl derivatives as PI3K inhibitors PIK3CA, PIK3CD, PIK3R1 HSD17B10 1095/4885ALDH1A1 2241/4885IMPDH2 2137/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB HSD17B10 4521/4885ALDH1A1 3828/4885IMPDH2 594/4885
US-20190084997-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R1 HSD17B10 1095/4885ALDH1A1 2241/4885IMPDH2 2137/4885
US-20220177491-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R1 HSD17B10 1097/4885ALDH1A1 2361/4885IMPDH2 2092/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB HSD17B10 4521/4885ALDH1A1 3828/4885IMPDH2 594/4885

“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.