SCHEMBL16664255

SCHEMBL16664255

Cc1cccc2nc([C@H](C)N)n(C)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.43
ELANE P08246 8/20 0.42
PIK3R1 P27986 2/20 0.42
PARP1 P09874 1/20 0.42
CTRB1 P17538 1/20 0.42
PIK3R2 O00459 1/20 0.41
CASR P41180 1/20 0.39

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
SCHEMBL16663358 0.84 PIK3CD (0.45) PIK3CDPIK3R1PARP1PIK3R2
SCHEMBL28833248 0.82 PIK3CD (0.51) PIK3CDELANEPIK3R2
SCHEMBL28833247 0.82 PIK3CD (0.51) PIK3CDELANEPIK3R2
SCHEMBL15812924 0.81 PIK3CD (0.60) PIK3CDPIK3R1
SCHEMBL16630527 0.81 PIK3CD (0.52) PIK3CDPIK3R1PIK3R2
SCHEMBL20717712 0.81 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL754017 0.81 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL15812927 0.81 PIK3CD (0.60) PIK3CDPIK3R1
SCHEMBL7013206 0.78 SMN1; SMN2 (0.49) PIK3CDELANEPARP1CTRB1CASR
SCHEMBL7014708 0.78 ELANE (0.49) PIK3CDELANEPARP1CTRB1CASR

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-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 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-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885ELANE 1219/4885PIK3R1 27/4885

“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.