SCHEMBL11908757

SCHEMBL11908757

Nc1ncc(-c2nc(N3CCOCC3)nc3c2cnn3CC(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.49
PIK3R1 P27986 15/20 0.49
MTOR P42345 4/20 0.49
HDAC1 Q13547 3/20 0.49
PIK3CD O00329 3/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
MAP3K12 Q12852 1/20 0.45
PIK3C2B O00750 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
SCHEMBL11908867 0.90 PIK3CA (0.51) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL1656945 0.90 PIK3CA (0.48) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL1656954 0.88 PIK3CA (0.47) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL11980094 0.87 PIK3CA (0.47) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL11980095 0.86 PIK3CA (0.49) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL11980065 0.86 PIK3CA (0.48) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL11980066 0.86 PIK3CA (0.45) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL11980067 0.86 PIK3CA (0.50) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1654692 0.86 PIK3CA (0.51) PIK3CAPIK3R1MTORHDAC1PIK3CD
SCHEMBL7906345 0.85 PIK3CA (0.51) PIK3CAPIK3R1MTORHDAC1PIK3CD

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
EP-2491036-B1 1,4-substituted 6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine derivatives as phosphoinositide-3-kinase inhibitors (PI3K) for treating allergies and asthma MERCK PATENT GMBH (DE) 2017-07-19 EP claimed
US-20120208808-A1 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 US claimed
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

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.