SCHEMBL15769559

SCHEMBL15769559

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.49
MTOR P42345 11/20 0.47
PIK3R1 P27986 2/20 0.46
CYP3A4 P08684 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
KCNH2 Q12809 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
SCHEMBL13195159 1.00 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12989223 0.94 PIK3CA (0.47) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12989226 0.94 PIK3CA (0.47) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12988442 0.94 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12988440 0.94 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12988630 0.93 PIK3CA (0.46) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12988628 0.93 PIK3CA (0.46) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL15769519 0.93 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL13194572 0.93 PIK3CA (0.49) PIK3CAMTORPIK3R1CYP3A4RPTOR
SCHEMBL12987134 0.92 PIK3CA (0.51) PIK3CAMTORPIK3R1CYP3A4RPTOR

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 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.