SCHEMBL26581752

SCHEMBL26581752

COCCn1cnc(-c2ccc3c(c2)c(C)cn3CCN2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ ICMT O60725 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ QPCT Q16769 2/20 0.37
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL26581627 0.96 MCL1 (0.48) MCL1PDE4APDE4BPDE4CPDE4D
SCHEMBL20604843 0.90 MCL1 (0.42) MCL1CNR2SYKPTGER4ICMT
SCHEMBL26581608 0.88 MCL1 (0.48) MCL1ICMTGSK3BQPCT
SCHEMBL20604991 0.86 MCL1 (0.45) MCL1CNR2SYKPTGER4ICMT
SCHEMBL26581592 0.85 HTR1A (0.44) MCL1PDE4APDE4BPDE4CPDE4D
SCHEMBL23809509 0.84 MCL1 (0.44) MCL1CNR2SYKPTGER4ICMT
SCHEMBL23809526 0.83 MCL1 (0.49) MCL1CNR2CNR1
SCHEMBL26581589 0.81 MCL1 (0.48) MCL1PTGER4
SCHEMBL26581757 0.81 MCL1 (0.46) MCL1PDE4APDE4BPDE4CPDE4D
SCHEMBL26581338 0.81 MEN1 (0.36) PTGER4

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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885PDE4A 3812/4885PDE4B 3808/4885

“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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