SCHEMBL20604816

SCHEMBL20604816

CN1CCN(CCn2cc(I)c3cc(-c4ncccn4)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ HTR1B P28222 3/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ TLR9 Q9NR96 3/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ TNIK Q9UKE5 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL20604957 0.91 KDR (0.39) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL26581580 0.87 ICMT (0.42) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL23809336 0.84 ICMT (0.38) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL20604878 0.80 DYRK1A (0.41) CNR1MCL1
SCHEMBL26581577 0.79 ICMT (0.41) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL23800568 0.78 MCL1 (0.44) ICMTHTR1AHTR1BDRD4DRD3
SCHEMBL20604925 0.77 HTR1A (0.42) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL30790895 0.77 HTR1A (0.42) ICMTCNR1HTR1AHTR1BDRD4
SCHEMBL20605488 0.77 MCL1 (0.42) ICMTCNR1MCL1TLR9FLT1
SCHEMBL23809334 0.76 KDR (0.37) ICMTCNR1HTR1AHTR1BDRD4

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 ICMT 4607/4885CNR1 2722/4885HTR1A 2199/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ICMT 4607/4885CNR1 2722/4885HTR1A 2199/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ICMT 4607/4885CNR1 2722/4885HTR1A 2199/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ICMT 4607/4885CNR1 2722/4885HTR1A 2199/4885

“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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