SCHEMBL944386

SCHEMBL944386

NC(=O)c1cc(N2CCCC(O)C2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ IKBKB O14920 2/20 0.42
▸ TP53BP1 Q12888 5/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ OPRM1 P35372 5/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL15289493 0.92 CDK1 (0.50) USP30CDK1CDK2TP53BP1ABL1
SCHEMBL30489405 0.86 OPRM1 (0.39) USP30CDK1CDK2TP53BP1OPRM1
SCHEMBL2562359 0.83 USP30 (0.41) USP30TP53BP1OPRM1HRH4
SCHEMBL30489430 0.82 USP30 (0.47) USP30CDK2HRH4CDK8
SCHEMBL4166256 0.76 HRH3 (0.49) USP30TP53BP1OPRM1HRH4
SCHEMBL31565257 0.75 ALDH1A1 (0.47) —
SCHEMBL30668708 0.75 CHKA (0.57) CDK2SMARCA2SMARCA4PBRM1
SCHEMBL30416158 0.74 IKBKB (0.45) IKBKBSMARCA2SMARCA4PBRM1CHUK
SCHEMBL2563048 0.74 USP30 (0.39) USP30TP53BP1OPRM1
SCHEMBL14843867 0.73 HRH3 (0.55) CDK1CDK2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 — — US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 — — US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 — — US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 — — US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 — — US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 — — US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 — — US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — 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 (6 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885CDK1 83/4885CDK2 221/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885CDK1 83/4885CDK2 221/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 USP30 1756/4885CDK1 82/4885CDK2 216/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885CDK1 83/4885CDK2 221/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 USP30 1724/4885CDK1 84/4885CDK2 201/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885CDK1 83/4885CDK2 221/4885

“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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