SCHEMBL20604886

SCHEMBL20604886

COCCn1cc(I)c2cc(-c3ncn(C)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ DYRK1A Q13627 2/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ NFATC1 O95644 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ HTR1A P08908 4/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ HTR1B P28222 4/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ XDH P47989 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL26581332 0.87 MCL1 (0.41) DRD2HTR2AMCL1DYRK1AGSK3B
SCHEMBL20604830 0.86 DYRK1A (0.35) MCL1DYRK1AGSK3BNFATC1CNR1
SCHEMBL20604926 0.86 DRD2 (0.39) DRD2HTR2AHTR1ADRD4HTR1B
SCHEMBL20604874 0.85 DRD2 (0.41) DRD2HTR2AHTR1ADRD4HTR1B
SCHEMBL31300847 0.85 DRD2 (0.35) DRD2HTR2AMCL1HTR1ADRD4
SCHEMBL20605123 0.85 DRD2 (0.35) DRD2HTR2AMCL1HTR1ADRD4
SCHEMBL20604878 0.84 DYRK1A (0.41) MCL1DYRK1AGSK3BNFATC1CNR1
SCHEMBL20605018 0.83 MCL1 (0.44) DRD2HTR2AMCL1DYRK1ACNR1
SCHEMBL20604875 0.82 DRD2 (0.36) DRD2HTR2AHTR1ADRD4HTR1B
SCHEMBL20604925 0.82 HTR1A (0.42) DRD2HTR2AMCL1CNR1HTR1A

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 DRD2 3801/4885HTR2A 1729/4885MCL1 1/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 DRD2 3801/4885HTR2A 1729/4885MCL1 1/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 DRD2 3801/4885HTR2A 1729/4885MCL1 1/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 DRD2 3801/4885HTR2A 1729/4885MCL1 1/4885

“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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