SCHEMBL23809476

SCHEMBL23809476

CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncccn3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CNR2 P34972 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL23809334 0.91 KDR (0.37) ICMTCNR2CNR1KDRHTR1A
SCHEMBL23809336 0.90 ICMT (0.38) ICMTCNR1FLT1FLT4KDR
SCHEMBL23809414 0.86 HTR1A (0.42) ICMTCNR2MEN1KMT2ACNR1
SCHEMBL23809421 0.80 DYRK1A (0.40) GSK3BCNR2CNR1
SCHEMBL23809509 0.79 MCL1 (0.44) ICMTGSK3BCNR2MEN1KMT2A
SCHEMBL21227426 0.77 CNR2 (0.50) GSK3BCNR2MEN1KMT2ACNR1
SCHEMBL23809237 0.77 DRD2 (0.43) ICMTCNR1HTR1ADRD4HTR1B
SCHEMBL26581577 0.76 ICMT (0.41) ICMTCNR2CNR1KDRHTR1A
SCHEMBL23809246 0.76 MEN1 (0.43) MEN1KMT2ALMNAMAPT
SCHEMBL26581580 0.75 ICMT (0.42) ICMTCNR1FLT1FLT4KDR

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 ICMT 4607/4885GSK3B 196/4885CNR2 3259/4885

“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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