SCHEMBL190386

SCHEMBL190386

Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
PIK3R1 P27986 13/20 0.49
MTOR P42345 8/20 0.44
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
SYK P43405 1/20 0.42
MAP3K9 P80192 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1864899 0.86 PIK3CA (0.51) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL1623283 0.84 SMN1; SMN2 (0.60) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL7898875 0.84 PIK3CA (0.56) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL1180287 0.83 PIK3CA (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL2154852 0.83 PIK3CA (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL190402 0.83 PIK3CA (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL19849046 0.83 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL4901706 0.83 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL25391998 0.82 PIK3CA (0.57) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD
SCHEMBL189813 0.82 PIK3CA (0.49) PIK3CASMN1; SMN2PIK3R1MTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2023-07-20 US disclosed
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-12-21 US disclosed
US-9725461-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2017-08-08 US disclosed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-23 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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 (6 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-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885SMN1; SMN2 4184/4885PIK3R1 106/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885SMN1; SMN2 4184/4885PIK3R1 106/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885SMN1; SMN2 4184/4885PIK3R1 106/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885SMN1; SMN2 1323/4885PIK3R1 16/4885
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885SMN1; SMN2 4192/4885PIK3R1 106/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885SMN1; SMN2 4049/4885PIK3R1 139/4885

“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.