SCHEMBL12028513

SCHEMBL12028513

CC1(C)CCc2c(-c3cc4cc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4[nH]3)n[nH]c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.44
▸ ACACB O00763 7/20 0.40
▸ CRBN Q96SW2 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIP5K1C O60331 3/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ ATR Q13535 1/20 0.35

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
SCHEMBL30801267 0.94 ITK (0.49) ITKACACBCRBNMEN1KMT2A
SCHEMBL24671204 0.94 ITK (0.49) ITKACACBCRBNMEN1KMT2A
SCHEMBL23808291 0.89 ITK (0.43) ITKACACBKDRMEN1KMT2A
SCHEMBL12028506 0.88 ITK (0.49) ITKACACBKDRPIP5K1CMGLL
SCHEMBL12028510 0.87 ITK (0.48) ITKKDRPIP5K1CPARP1MGLL
SCHEMBL12028517 0.87 ITK (0.50) ITKACACBKDRKMT2APIP5K1C
SCHEMBL25190175 0.86 ITK (0.47) ITKACACBPIP5K1CPARP1
SCHEMBL25190449 0.86 ITK (0.47) ITKACACBPIP5K1CPARP1
SCHEMBL12028443 0.86 ITK (0.56) ITKKDRPIP5K1C
SCHEMBL12028453 0.85 ITK (0.47) ITKKDRPIP5K1CPARP1MGLL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255408-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-08-13 — — US disclosed
US-20170267662-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-09-21 — — US disclosed
US-20170267662-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-09-21 — — US disclosed
EP-2505586-B1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2016-03-02 — — EP disclosed
US-20130116240-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-09 — — US disclosed
US-20130116240-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-09 — — US disclosed
US-8299070-B2 Indole compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 — — US disclosed
US-8299070-B2 Indole compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 — — US disclosed
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2011-12-15 — — US disclosed
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2011-12-15 — — US 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-20200255408-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885ACACB 2783/4885CRBN 2253/4885
US-20130116240-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885ACACB 2783/4885CRBN 2253/4885
US-20170267662-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 1309/4885ACACB 3340/4885CRBN 2556/4885
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885ACACB 2783/4885CRBN 2253/4885

“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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