SCHEMBL20604957

SCHEMBL20604957

Ic1cn(CCN2CCCC2)c2ccc(-c3ncccn3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ HTR1B P28222 3/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ ICMT O60725 2/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ MAP3K20 Q9NYL2 1/20 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
SCHEMBL20604816 0.91 ICMT (0.39) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL26581577 0.85 ICMT (0.41) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL20604925 0.84 HTR1A (0.42) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL30790895 0.84 HTR1A (0.42) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL23809334 0.82 KDR (0.37) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL20604878 0.79 DYRK1A (0.41) CNR2CNR1MCL1
SCHEMBL20605488 0.79 MCL1 (0.42) KDRICMTCNR2CNR1MCL1
SCHEMBL26961121 0.78 HTR1A (0.32) HTR1AHTR1BDRD4DRD3
SCHEMBL26581580 0.77 ICMT (0.42) KDRHTR1AHTR1BDRD4DRD3
SCHEMBL20820764 0.77 TMEM97 (0.44) —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP 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 (4 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 KDR 2913/4885HTR1A 2199/4885HTR1B 2460/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDR 2913/4885HTR1A 2199/4885HTR1B 2460/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDR 2913/4885HTR1A 2199/4885HTR1B 2460/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDR 2913/4885HTR1A 2199/4885HTR1B 2460/4885

“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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