SCHEMBL20604925

SCHEMBL20604925

Cn1cnc(-c2ccc3c(c2)c(I)cn3CCN2CCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.42
▸ DRD4 P21917 5/20 0.42
▸ HTR1B P28222 5/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MCL1 Q07820 2/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ KDR P35968 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ICMT O60725 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ CNR2 P34972 3/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL30790895 1.00 HTR1A (0.42) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20604923 0.91 HTR1A (0.44) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20605117 0.86 MCL1 (0.43) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL30790891 0.86 MCL1 (0.43) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20604964 0.84 HTR1A (0.46) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20604926 0.84 DRD2 (0.39) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20604957 0.84 KDR (0.39) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL20604874 0.83 DRD2 (0.41) HTR1ADRD4HTR1BDRD3DRD2
SCHEMBL20604943 0.82 GRIN2B (0.43) MCL1
SCHEMBL20604886 0.82 DRD2 (0.38) HTR1ADRD4HTR1BDRD3DRD2

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 HTR1A 2199/4885DRD4 4430/4885HTR1B 2460/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HTR1A 2199/4885DRD4 4430/4885HTR1B 2460/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HTR1A 2199/4885DRD4 4430/4885HTR1B 2460/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HTR1A 2199/4885DRD4 4430/4885HTR1B 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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