SCHEMBL10327604

SCHEMBL10327604

Nc1cc(C(F)(F)F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
PIK3CD O00329 1/20 0.61
PIK3C2B O00750 1/20 0.61
PIK3R1 P27986 1/20 0.61
AKR1C3 P42330 1/20 0.61
PIK3CB P42338 1/20 0.61
MTOR P42345 1/20 0.61
PIK3CG P48736 1/20 0.61
PRKDC P78527 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
PIK3R5 Q8WYR1 1/20 0.61
PI4KB Q9UBF8 1/20 0.61

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
SCHEMBL13134605 0.89 PIK3CA (0.81) PIK3CAPIK3CDPIK3C2BPIK3R1AKR1C3
SCHEMBL2812917 0.89 PIK3CA (0.81) PIK3CA
SCHEMBL13016582 0.89 PIK3CA (0.83) PIK3CA
SCHEMBL10327812 0.87 PIK3CA (1.00) PIK3CA
SCHEMBL10328056 0.87 PIK3CA (0.81) PIK3CAPIK3R1MTOR
SCHEMBL10327774 0.86 PIK3CA (0.76) PIK3CAPIK3CDPIK3C2BPIK3R1AKR1C3
SCHEMBL10327603 0.86 PIK3CA (1.00) PIK3CAPIK3CBMTOR
SCHEMBL10327667 0.85 PIK3CA (0.74) PIK3CAPIK3CDPIK3C2BPIK3R1AKR1C3
SCHEMBL10328163 0.85 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL2817356 0.85 PIK3CA (1.00) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CD 16/4885PIK3C2B 25/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CD 15/4885PIK3C2B 23/4885

“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.