SCHEMBL23809512

SCHEMBL23809512

COCCn1cc(C(C)C)c2cc(-c3ncn(CC4CN(C(C)=O)C4)n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.48
▸ RIPK1 Q13546 2/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ PTGER4 P35408 2/20 0.32
▸ XDH P47989 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL26581633 0.89 MCL1 (0.52) MCL1RIPK1CNR1PTGER4XDH
SCHEMBL20604810 0.88 MCL1 (0.49) MCL1RIPK1CNR1PTGER4XDH
SCHEMBL30790922 0.88 MCL1 (0.49) MCL1RIPK1CNR1PTGER4XDH
SCHEMBL23809422 0.88 MCL1 (0.43) MCL1RIPK1CNR1PTGER4
SCHEMBL20604962 0.82 MCL1 (0.43) MCL1RIPK1CNR1PTGER4XDH
SCHEMBL20605746 0.78 MCL1 (0.41) MCL1PTGER4
SCHEMBL30790899 0.78 MCL1 (0.41) MCL1PTGER4
SCHEMBL23809288 0.78 MCL1 (0.43) MCL1RIPK1
SCHEMBL23809509 0.77 MCL1 (0.44) MCL1PTGER4CNR2
SCHEMBL26581596 0.76 MCL1 (0.47) MCL1CNR1PTGER4

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885RIPK1 560/4885CNR1 2722/4885

“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.

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