SCHEMBL11980071

SCHEMBL11980071

Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3CCN2CCOCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.52
PIK3R1 P27986 12/20 0.52
MTOR P42345 4/20 0.52
PIK3CD O00329 4/20 0.50
PIK3CB P42338 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
PIK3CG P48736 1/20 0.50
JAK3 P52333 1/20 0.50
MAP3K12 Q12852 1/20 0.47
HDAC1 Q13547 3/20 0.46

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
SCHEMBL11980070 0.96 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980073 0.94 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980072 0.93 PIK3CA (0.47) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL7906345 0.90 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980031 0.89 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL11980076 0.88 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980074 0.88 PIK3CA (0.50) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19140821 0.88 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980075 0.87 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL11980027 0.86 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741896-B2 Pyrazolopyrimidine derivatives MERCK PATENT GMBH (DE) 2014-06-03 US disclosed
US-8741896-B2 Pyrazolopyrimidine derivatives MERCK PATENT GMBH (DE) 2014-06-03 US disclosed
US-20120208808-A1 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 US disclosed
US-20120208808-A1 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 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 (1 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-20120208808-A1 PYRAZOLOPYRIMIDINE DERIVATIVES PDPK1, PIK3R5, NLRP1 PIK3CA 7/4885PIK3R1 6/4885MTOR 47/4885

“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.