SCHEMBL12028515

SCHEMBL12028515

CC1(C)CCc2c(-c3cc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)ccc4[nH]3)n[nH]c2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.46
▸ PIP5K1C O60331 12/20 0.40
▸ KDR P35968 3/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ RIPK1 Q13546 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
SCHEMBL12028522 0.91 ITK (0.44) ITKPIP5K1CKDRCHEK1
SCHEMBL12028453 0.90 ITK (0.47) ITKPIP5K1CKDRCHEK1
SCHEMBL12028506 0.89 ITK (0.49) ITKPIP5K1CKDRCHEK1
SCHEMBL12028510 0.88 ITK (0.48) ITKPIP5K1CKDRCHEK1RIPK1
SCHEMBL12028451 0.88 ITK (0.44) ITKPIP5K1CKDR
SCHEMBL12028443 0.87 ITK (0.56) ITKPIP5K1CKDRCHEK1RIPK1
SCHEMBL12964321 0.86 ITK (0.45) ITKPIP5K1CKDRCHEK1
SCHEMBL12028517 0.86 ITK (0.50) ITKPIP5K1CKDRCHEK1
SCHEMBL23808289 0.85 ITK (0.48) ITKPIP5K1CKDRCHEK1
SCHEMBL22899288 0.85 ITK (0.45) ITKPIP5K1CKDRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284627-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-09-16 — — US disclosed
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
EP-2505586-A1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-10-03 — — EP 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 (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-20200255408-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885PIP5K1C 2200/4885KDR 4518/4885
US-20130116240-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885PIP5K1C 2200/4885KDR 4518/4885
US-20170267662-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 1309/4885PIP5K1C 2523/4885KDR 4430/4885
US-20210284627-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885PIP5K1C 2200/4885KDR 4518/4885
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885PIP5K1C 2200/4885KDR 4518/4885

“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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