SCHEMBL11980077

SCHEMBL11980077

CN1CCC(n2ncc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.55
PIK3CA P42336 19/20 0.50
PIK3R1 P27986 16/20 0.49
PIK3CD O00329 3/20 0.49
PIK3CB P42338 3/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PIK3CG P48736 1/20 0.49
JAK3 P52333 1/20 0.49
RICTOR Q6R327 2/20 0.47
RPTOR Q8N122 2/20 0.47
MAPKAP1 Q9BPZ7 2/20 0.47
MLST8 Q9BVC4 2/20 0.47

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
SCHEMBL11980080 0.94 MTOR (0.51) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359235 0.92 MTOR (0.61) MTORPIK3CAPIK3R1PIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1360360 0.91 MTOR (0.60) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL11980037 0.90 MTOR (0.56) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1359843 0.90 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7914530 0.88 PIK3CA (0.56) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL11980079 0.88 PIK3CA (0.59) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL11980078 0.88 PIK3CA (0.59) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7916075 0.87 PIK3CA (0.60) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL16667519 0.86 MTOR (0.50) MTORPIK3CAPIK3R1PIK3CDPIK3CB

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 MTOR 47/4885PIK3CA 7/4885PIK3R1 6/4885

“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.