SCHEMBL3610045

SCHEMBL3610045

Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2cc(CN3CCNCC3)sc2n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.63
PIK3CA P42336 6/20 0.63
PIK3CB P42338 6/20 0.63
PIK3R1 P27986 1/20 0.63
CYP3A4 P08684 5/20 0.61
PIK3CG P48736 1/20 0.50
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL993219 0.89 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL2463489 0.88 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL1194318 0.86 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL2465662 0.85 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL2466271 0.84 PIK3CA (0.60) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15679689 0.82 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL2519277 0.81 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL3613117 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBCYP3A4PIK3CG
SCHEMBL13983595 0.81 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL2467609 0.80 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBCYP3A4PIK3CG

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-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US claimed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US claimed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US claimed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US claimed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO claimed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 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 (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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 6/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CB 3/4885

“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.