SCHEMBL12987141

SCHEMBL12987141

CC1COCCN1c1nc2c(c(-c3ccc(NC(=O)NC4CC4)cc3)n1)CN(C(N)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.51
MTOR P42345 8/20 0.49
PIK3R1 P27986 1/20 0.45
CYP3A4 P08684 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
KCNH2 Q12809 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
SCHEMBL12987134 1.00 PIK3CA (0.51) PIK3CAMTORPIK3R1CYP3A4RPTOR
Trifluoroacetic Acid SCHEMBL15769309 0.95 PIK3CA (0.46) PIK3CAMTORPIK3R1
Trifluoroacetic Acid SCHEMBL15769310 0.95 PIK3CA (0.46) PIK3CAMTORPIK3R1
SCHEMBL12986891 0.92 PIK3CA (0.51) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL15769378 0.92 MTOR (0.53) PIK3CAMTORPIK3R1
SCHEMBL12989060 0.92 MTOR (0.53) PIK3CAMTORPIK3R1
SCHEMBL15769559 0.92 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL13195159 0.92 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12988381 0.91 PIK3CA (0.54) PIK3CAMTORPIK3R1
SCHEMBL12988377 0.91 PIK3CA (0.54) PIK3CAMTORPIK3R1

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-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 US claimed
EP-2694511-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2014-02-12 EP claimed
WO-2012136622-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2012-10-11 WO 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 PIK3CA 34/4885MTOR 1/4885PIK3R1 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.