SCHEMBL3986201

SCHEMBL3986201

CONC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 20/20 1.00
PIK3CD O00329 1/20 0.87
PIK3CB P42338 1/20 0.87

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
SCHEMBL3987557 0.94 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL29352320 0.93 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL10092310 0.93 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL55262 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL31041754 0.92 MTOR (0.99) PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL22773820 0.92 MTOR (0.99) PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL29921313 0.92 MTOR (0.99) PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL29454792 0.92 MTOR (0.99) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3988618 0.92 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3988153 0.92 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CB

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-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885PIK3CD 7/4885

“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.