SCHEMBL179632

SCHEMBL179632

COc1ncc(-c2cccc3cc([C@H](C)Nc4ncnc5c4ncn5C4CCCCO4)n(-c4ccccc4)c(=O)c23)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CD O00329 9/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 3/20 0.40
PIK3R1 P27986 2/20 0.40
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
YTHDC1 Q96MU7 1/20 0.35
PIK3R2 O00459 1/20 0.35

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
SCHEMBL153480 0.91 PIK3CG (0.46) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL153479 0.91 PIK3CG (0.46) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL28643134 0.87 NPC1 (0.49) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL934754 0.87 NPC1 (0.49) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL153713 0.86 PIK3CD (0.54) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL153714 0.86 PIK3CD (0.54) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL19656225 0.86 PIK3CD (0.54) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL31628325 0.86 PIK3CD (0.54) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL179578 0.86 PIK3CG (0.53) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL14667115 0.85 NPC1 (0.47) PIK3CGNPC1RAB9ASMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
EP-2571357-B1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS INC (US) 2016-07-06 EP disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 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 (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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885NPC1 1925/4885RAB9A 1166/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885NPC1 1925/4885RAB9A 1166/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885NPC1 1925/4885RAB9A 1166/4885

“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.