SCHEMBL945600

SCHEMBL945600

CC(C)CSc1c(-c2cccnc2)ccnc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
MKNK1 Q9BUB5 11/20 0.41
MKNK2 Q9HBH9 11/20 0.41
IKBKB O14920 1/20 0.41
DUSP10 Q9Y6W6 1/20 0.39
CHEK2 O96017 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NUDT1 P36639 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
SYK P43405 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL945261 0.82 MKNK1 (0.47) LRRK2MKNK1MKNK2IKBKBCHEK2
SCHEMBL944530 0.77 MKNK1 (0.47) LRRK2MKNK1MKNK2IKBKBCHEK2
SCHEMBL945364 0.75 IKBKB (0.52) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL946827 0.75 MKNK1 (0.47) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL947978 0.74 MKNK1 (0.53) LRRK2MKNK1MKNK2IKBKBCHEK2
SCHEMBL945200 0.74 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL944217 0.74 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL947436 0.73 MKNK1 (0.45) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL944046 0.72 MKNK1 (0.47) MKNK1MKNK2IKBKBCHEK2LMNA
SCHEMBL233227 0.72 MKNK1 (0.53) MKNK1MKNK2IKBKBCHEK2LMNA

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 LRRK2 117/4885MKNK1 90/4885MKNK2 94/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MKNK1 90/4885MKNK2 94/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 LRRK2 131/4885MKNK1 86/4885MKNK2 92/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MKNK1 90/4885MKNK2 94/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 LRRK2 118/4885MKNK1 89/4885MKNK2 92/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MKNK1 90/4885MKNK2 94/4885

“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.