SCHEMBL23809288

SCHEMBL23809288

COCCn1cc(C(C)C)c2cc(-c3ncn(CCN4CCN(C)CC4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.43
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ICMT O60725 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ HTR1B P28222 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ QPCT Q16769 1/20 0.30

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
SCHEMBL23809509 0.92 MCL1 (0.44) MCL1ICMTGSK3BQPCT
SCHEMBL26581608 0.88 MCL1 (0.48) MCL1DRD2HTR2AICMTDYRK1A
SCHEMBL23800568 0.87 MCL1 (0.44) MCL1DRD2HTR2AICMTDYRK1A
SCHEMBL23809237 0.84 DRD2 (0.43) MCL1DRD2HTR2AICMTHTR1A
SCHEMBL23809422 0.83 MCL1 (0.43) MCL1ICMTDYRK1ARIPK1
SCHEMBL26581627 0.80 MCL1 (0.48) MCL1ICMTNPSR1GSK3BQPCT
SCHEMBL20604991 0.79 MCL1 (0.45) MCL1ICMTNPSR1GSK3BQPCT
SCHEMBL23809336 0.78 ICMT (0.38) MCL1ICMTHTR1ADRD4HTR1B
SCHEMBL23809512 0.78 MCL1 (0.48) MCL1RIPK1
SCHEMBL23809421 0.77 DYRK1A (0.40) MCL1DYRK1ANPSR1GSK3B

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 1/4885DRD2 3801/4885HTR2A 1729/4885

“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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