SCHEMBL31300701

SCHEMBL31300701

CC1CNC(=O)c2cc3ccccc3n21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 15/20 0.59
RPS6KA3 P51812 2/20 0.55
HRH3 Q9Y5N1 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL1979881 1.00 RPS6KA2 (0.59) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL19252943 0.84 RPS6KA2 (0.53) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4040510 0.84 RPS6KA2 (0.53) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4038900 0.84 RPS6KA2 (0.52) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4040515 0.84 RPS6KA2 (0.53) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL19252944 0.84 RPS6KA2 (0.53) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4038902 0.84 RPS6KA2 (0.52) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4044891 0.82 HRH3 (0.56) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL4041103 0.82 HRH3 (0.56) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6
SCHEMBL2983427 0.81 HRH3 (0.55) RPS6KA2RPS6KA3HRH3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 RPS6KA2 1016/4885RPS6KA3 1180/4885HRH3 4257/4885

“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.