SCHEMBL17147209

SCHEMBL17147209

Cc1c(Cl)cc(C(C)N)c(-c2cccc(F)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
BCL2 P10415 1/20 0.35
GCGR P47871 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL10279064 0.89 PIK3CD (0.41) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9929134 0.85 PIK3CD (0.56) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9967832 0.84 PIK3CD (0.40) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9928785 0.83 CSNK1E (0.41) PIK3CDAXLMERTK
SCHEMBL10278679 0.83 PIK3CD (0.38) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9929067 0.82 PIK3CD (0.37) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL2163817 0.82 PIK3CD (0.40) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9928898 0.81 PIK3CD (0.41) PIK3CDAXLMERTKCYP1A2CYP3A4
SCHEMBL9928942 0.81 PIK3CD (0.38) PIK3CDAXLMERTKLMNAALDH1A1
SCHEMBL9952395 0.81 PIK3CD (0.36) PIK3CDAXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885AXL 1575/4885MERTK 888/4885

“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.