SCHEMBL23809422

SCHEMBL23809422

COCCn1cc(C(C)C)c2cc(-c3ncn(CC4CC4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 8/20 0.43
▸ PTGER4 P35408 3/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ ICMT O60725 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL23809512 0.88 MCL1 (0.48) MCL1PTGER4RIPK1CNR1
SCHEMBL26581596 0.87 MCL1 (0.47) MCL1PTGER4ICMTCNR1DYRK1A
SCHEMBL20605018 0.87 MCL1 (0.44) MCL1PTGER4RIPK1ICMTCNR1
SCHEMBL23809288 0.83 MCL1 (0.43) MCL1RIPK1ICMTDYRK1A
SCHEMBL23809509 0.83 MCL1 (0.44) MCL1PTGER4ICMT
SCHEMBL23809526 0.81 MCL1 (0.49) MCL1CNR1
SCHEMBL20604942 0.81 MCL1 (0.46) MCL1CNR1
SCHEMBL26581589 0.79 MCL1 (0.48) MCL1PTGER4DYRK1A
SCHEMBL23799369 0.79 MCL1 (0.39) MCL1PTGER4RIPK1CNR1DYRK1A
SCHEMBL23809421 0.78 DYRK1A (0.40) MCL1CNR1DYRK1A

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 1/4885PTGER4 4727/4885RIPK1 560/4885

“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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