SCHEMBL3985378

SCHEMBL3985378

Clc1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
MTOR P42345 20/20 0.62
PIK3CG P48736 5/20 0.62
MAPK14 Q16539 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
ATR Q13535 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
Hydrochloric Acid SCHEMBL3991341 0.99 PIK3CA (0.61) PIK3CAMTORPIK3CGMAPK14CSNK1G1
Acetic Acid SCHEMBL27773579 0.93 PIK3CA (0.60) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL24955563 0.90 PIK3CA (0.51) PIK3CAMTORPIK3CGMAPK14CSNK1G1
Trifluoroacetic Acid SCHEMBL27794825 0.90 PIK3CA (0.56) PIK3CAMTORPIK3CGMAPK14CSNK1G1
Tert-Butyl Formate SCHEMBL27773612 0.88 MTOR (0.54) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL14071906 0.86 PIK3CA (0.62) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL55549 0.83 PIK3CA (0.45) PIK3CAMTORPIK3CG
SCHEMBL912539 0.82 MTOR (0.55) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3993542 0.82 PIK3CA (0.43) PIK3CAMTORPIK3CG
SCHEMBL3986621 0.81 PIK3CA (0.52) PIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
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 disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
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 1/4885PIK3CG 16/4885

“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.