SCHEMBL9929037

SCHEMBL9929037

COc1c(C(C)N(C(=O)O)C(C)(C)C)cc(Cl)c(C)c1-c1cccc(C(=O)N(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.41
CTSA P10619 2/20 0.36
APLNR P35414 1/20 0.31
CNR2 P34972 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
SCHEMBL9929633 0.84 PIK3CD (0.47) PIK3CD
SCHEMBL9952247 0.83 PIK3CD (0.46) PIK3CDCTSAAPLNR
Hydrochloric Acid SCHEMBL9929471 0.83 PIK3CD (0.46) PIK3CDCTSA
SCHEMBL17333074 0.82 PIK3CD (0.58) PIK3CD
SCHEMBL9953244 0.74 PIK3CD (0.37) PIK3CDCTSAAPLNRCNR2
SCHEMBL9952249 0.73 HCRTR1 (0.38) PIK3CDCTSAAPLNRCNR2
SCHEMBL17333103 0.73 IMPDH2 (0.32)
SCHEMBL9928938 0.73 IMPDH2 (0.32)
SCHEMBL9928708 0.73 PIK3CD (0.37) PIK3CDCTSACNR2
SCHEMBL9929169 0.72 PIK3CD (0.54) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885CTSA 3128/4885APLNR 869/4885

“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.