SCHEMBL2619213

SCHEMBL2619213

CCC(C)c1ccc2ncncc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
FGFR4 P22455 1/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.39
BRAF P15056 2/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL20032418 0.87 EGFR (0.50) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL2611054 0.84 EGFR (0.55) EGFRPIK3CDPIK3CASCN10AFGFR4
SCHEMBL23335615 0.81 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL27666530 0.81 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL30804805 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL21648655 0.79 EGFR (0.49) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL21366577 0.78 PIK3CA (0.52) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL19308814 0.76 EGFR (0.38) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL20003778 0.75 EGFR (0.37) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL25691512 0.75 EGFR (0.37) EGFRPIK3CDPIK3CAFGFR4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158626-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2012-04-17 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 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 (2 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-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L EGFR 1721/4885PIK3CD 3634/4885PIK3CA 4102/4885
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB EGFR 1332/4885PIK3CD 2/4885PIK3CA 1/4885

“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.