SCHEMBL20605488

SCHEMBL20605488

Ic1cn(CCN2CCOCC2)c2ccc(-c3ncn(-c4ncccn4)n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.42
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ACVR1 Q04771 1/20 0.37
▸ HPGDS O60760 2/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ ICMT O60725 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HDAC3 O15379 1/20 0.36

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
SCHEMBL26581757 0.88 MCL1 (0.46) MCL1HDAC2HDAC1CNR1CNR2
SCHEMBL20604923 0.86 HTR1A (0.44) MCL1CNR1CNR2ICMTFLT1
SCHEMBL20605167 0.83 ASH1L (0.33) MCL1
SCHEMBL20604843 0.80 MCL1 (0.42) MCL1CNR1CNR2ICMTGSK3B
SCHEMBL20605149 0.79 HASPIN (0.38) MCL1
SCHEMBL20604957 0.79 KDR (0.39) MCL1CNR1CNR2ICMTKDR
SCHEMBL20604991 0.78 MCL1 (0.45) MCL1CNR2ICMTGSK3BKDM4E
SCHEMBL23799358 0.78 MCL1 (0.33) MCL1
SCHEMBL20604911 0.78 CD274 (0.44) HDAC2HDAC1CNR1CNR2ALDH1A1
SCHEMBL23800169 0.78 CNR2 (0.39) HDAC2CNR1CNR2ICMTFLT1

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 MCL1 1/4885HDAC2 669/4885HDAC1 358/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MCL1 1/4885HDAC2 669/4885HDAC1 358/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885HDAC2 669/4885HDAC1 358/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MCL1 1/4885HDAC2 669/4885HDAC1 358/4885

“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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