SCHEMBL23809423

SCHEMBL23809423

CC(C)c1cn(CC(=O)N2CCN(C)CC2)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ DDR1 Q08345 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ ICMT O60725 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ GRIN2B Q13224 2/20 0.35

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
SCHEMBL23809214 0.93 MCL1 (0.41) MCL1KMT2APOLBGRIN2B
SCHEMBL23809236 0.91 GRIN2B (0.44) MCL1PTGS2KMT2ANPC1RAB9A
SCHEMBL26581555 0.87 MCL1 (0.46) MCL1PTGS2KMT2ADRD2HTR2A
SCHEMBL20604762 0.87 MCL1 (0.43) MCL1PTGS2KMT2ADRD2HTR2A
SCHEMBL23809237 0.83 DRD2 (0.43) MCL1DRD2HTR2AICMT
SCHEMBL23809510 0.82 GRIN2B (0.39) MCL1GRIN2B
SCHEMBL26581336 0.81 GRIN2B (0.50) MCL1POLBGRIN2B
SCHEMBL20604943 0.80 GRIN2B (0.43) MCL1KMT2AGRIN2B
SCHEMBL20604849 0.79 PTGS2 (0.48) PTGS2DRD2NPC1RAB9AGRIN2B
SCHEMBL26581333 0.78 GRIN2B (0.52) MCL1PTGS2KMT2ANPC1RAB9A

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 1/4885PTGS2 2060/4885KMT2A 824/4885

“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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