SCHEMBL15769378

SCHEMBL15769378

CC(=O)N1Cc2nc(N3CCOCC3C)nc(-c3ccc(NC(=O)NC4CC4)cc3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.53
PIK3CA P42336 15/20 0.51
PIK3R1 P27986 4/20 0.46

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
SCHEMBL12989060 1.00 MTOR (0.53) MTORPIK3CAPIK3R1
SCHEMBL12986891 0.93 PIK3CA (0.51) MTORPIK3CA
SCHEMBL12987141 0.92 PIK3CA (0.51) MTORPIK3CAPIK3R1
SCHEMBL12987134 0.92 PIK3CA (0.51) MTORPIK3CAPIK3R1
SCHEMBL12988377 0.91 PIK3CA (0.54) MTORPIK3CAPIK3R1
SCHEMBL12988381 0.91 PIK3CA (0.54) MTORPIK3CAPIK3R1
SCHEMBL13195159 0.91 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL12988440 0.91 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL12988442 0.91 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL15769559 0.91 PIK3CA (0.49) MTORPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 US claimed
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 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-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 34/4885PIK3R1 119/4885

“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.