SCHEMBL1654692

SCHEMBL1654692

CN1CCN(C(=O)Cn2ncc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.51
PIK3CD O00329 3/20 0.47
PIK3R1 P27986 11/20 0.47
HDAC1 Q13547 3/20 0.46
MTOR P42345 3/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
JAK3 P52333 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
SCHEMBL1656945 0.93 PIK3CA (0.48) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11980067 0.93 PIK3CA (0.50) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1656954 0.92 PIK3CA (0.47) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11980024 0.91 PIK3CA (0.45) PIK3CAPIK3CDPIK3R1MTOR
SCHEMBL11980094 0.91 PIK3CA (0.47) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11980068 0.90 PIK3CA (0.51) PIK3CAPIK3CDPIK3R1MTORPIK3CB
SCHEMBL11980066 0.89 PIK3CA (0.45) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11908757 0.86 PIK3CA (0.49) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11980073 0.85 PIK3CA (0.53) PIK3CAPIK3CDPIK3R1HDAC1MTOR
SCHEMBL11980022 0.84 PIK3CA (0.49) PIK3CAPIK3CDPIK3R1HDAC1MTOR

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 12 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-8741896-B2 Pyrazolopyrimidine derivatives MERCK PATENT GMBH (DE) 2014-06-03 US claimed
US-20120208808-A1 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-16 US claimed
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 disclosed
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-8741896-B2 Pyrazolopyrimidine derivatives MERCK PATENT GMBH (DE) 2014-06-03 US disclosed
EP-2491036-A2 PYRAZOLOPYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-08-29 EP 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
WO-2011047770-A2 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-04-28 WO disclosed
WO-2011047770-A2 PYRAZOLOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-04-28 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 (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 7/4885PIK3CD 15/4885PIK3R1 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.