SCHEMBL23809281

SCHEMBL23809281

CC(C)c1cn(CCN2CCN(C)C(=O)C2)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.42
▸ HTR1A P08908 5/20 0.39
▸ DRD4 P21917 5/20 0.39
▸ HTR1B P28222 5/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ USP1 O94782 3/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.31
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31
▸ PRKAG2 Q9UGJ0 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ XDH P47989 1/20 0.30
▸ PIM1 P11309 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
SCHEMBL23809237 0.87 DRD2 (0.43) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL30790891 0.87 MCL1 (0.43) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL20605117 0.87 MCL1 (0.43) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL23809414 0.84 HTR1A (0.42) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL23809455 0.80 DRD2 (0.38) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL23809214 0.76 MCL1 (0.41) MCL1
SCHEMBL23809236 0.76 GRIN2B (0.44) MCL1
SCHEMBL23809336 0.76 ICMT (0.38) MCL1HTR1ADRD4HTR1BDRD3
SCHEMBL23809423 0.76 MCL1 (0.42) MCL1DRD2HTR2A
SCHEMBL23809510 0.75 GRIN2B (0.39) MCL1USP1

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 1/4885HTR1A 2199/4885DRD4 4430/4885

“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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