SCHEMBL9960484

SCHEMBL9960484

CCOc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.35
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9952900 0.90 PIK3CD (0.34) PIK3CDMEN1LMNATSHRHTT
Trifluoroacetic Acid SCHEMBL9953716 0.87 PIK3CD (0.36) PIK3CD
SCHEMBL9953848 0.84 PIK3CD (0.43) PIK3CDTSHRHTTSMN1; SMN2HSD17B10
SCHEMBL9952153 0.84 JAK2 (0.37) PIK3CDSMN1; SMN2
SCHEMBL9952062 0.82 PIK3CD (0.37) PIK3CDALDH1A1
SCHEMBL9953231 0.82 PIK3CD (0.36) PIK3CDMEN1LMNATSHRHTT
SCHEMBL9952257 0.82 PIK3CD (0.33) PIK3CDTSHRHTTSMN1; SMN2HSD17B10
SCHEMBL9929490 0.81 PIK3CD (0.48) PIK3CD
SCHEMBL9952295 0.81 PIK3CD (0.38) PIK3CDMEN1LMNATSHRHTT
SCHEMBL9953147 0.79 PIK3CD (0.37) PIK3CDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885ALDH1A1 3828/4885MEN1 2330/4885

“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.