SCHEMBL17113102

SCHEMBL17113102

COC(=O)c1cc(CN)nc(N2CCc3ccccc3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 11/20 0.53
▸ GRIN3B O60391 11/20 0.53
▸ GRIN1 Q05586 11/20 0.53
▸ GRIN2A Q12879 11/20 0.53
▸ GRIN2B Q13224 11/20 0.53
▸ GRIN2C Q14957 11/20 0.53
▸ GRIN3A Q8TCU5 11/20 0.53
▸ CHRM1 P11229 5/20 0.53
▸ ADRA1D P25100 5/20 0.53
▸ ADRA1A P35348 5/20 0.53
▸ ADRA1B P35368 5/20 0.53
▸ NUDT1 P36639 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ KDM6B O15054 1/20 0.45
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ HK1 P19367 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43

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
SCHEMBL17113443 0.84 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30109397 0.76 LIPE (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6400359 0.74 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18984616 0.72 KMT2A (0.40) PIK3CAPIK3CB
SCHEMBL17113017 0.72 HRH4 (0.42) HRH4PIK3CAPIK3CB
SCHEMBL13350408 0.72 KDM4E (0.53) —
Hydrochloric Acid SCHEMBL6441441 0.72 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30109340 0.72 LIPE (0.58) LIPE
SCHEMBL30109408 0.72 ALDH1A1 (0.54) LIPE
SCHEMBL30109402 0.70 ALDH1A1 (0.52) CYP3A4LIPE

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-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 — — US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 — — US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 — — US disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 — — US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — US disclosed
EP-3122353-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2017-02-01 — — EP disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 — — WO 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 (5 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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GRIN2D 4458/4885GRIN3B 3763/4885GRIN1 2805/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GRIN2D 4458/4885GRIN3B 3763/4885GRIN1 2805/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 GRIN2D 4458/4885GRIN3B 3763/4885GRIN1 2805/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GRIN2D 4458/4885GRIN3B 3763/4885GRIN1 2805/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 GRIN2D 4458/4885GRIN3B 3763/4885GRIN1 2805/4885

“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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