SCHEMBL84522

SCHEMBL84522

CC(C)(C)c1cnc(N)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
MTOR P42345 10/20 0.40
PIK3CA P42336 9/20 0.40
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
NOS1 P29475 1/20 0.39
PIK3C2B O00750 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38
RICTOR Q6R327 1/20 0.38
RPTOR Q8N122 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MAPKAP1 Q9BPZ7 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL16712832 0.87 CA2 (0.45) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL20457488 0.79 SLC22A12 (0.36) CA2AURKAKDRAURKB
SCHEMBL6933510 0.78 NOS3 (0.56) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL29899421 0.78 NOS3 (0.56) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL24858337 0.78 NOS3 (0.56) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL18590260 0.78 ALOX5AP (0.42) CA2CHKANOS3NOS2NOS1
SCHEMBL29851068 0.78 NOS3 (0.56) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL29498290 0.77 CA2 (0.43) PIK3CDMTORPIK3CACA2CHKA
SCHEMBL24506895 0.77 NOS3 (0.43) NOS3NOS2NOS1PIK3CBALOX5AP
SCHEMBL14803741 0.75 NOS3 (0.58) MTORPIK3CANOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
US-9018221-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA, LLC (US) 2015-04-28 US disclosed
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (3 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-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 4/4885MTOR 28/4885PIK3CA 1/4885
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 4/4885MTOR 28/4885PIK3CA 1/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PIK3CD 202/4885MTOR 206/4885PIK3CA 30/4885

“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.