SCHEMBL943650

SCHEMBL943650

CS(=O)(=O)c1ccc(-c2ccnc(C(N)=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.51
MAP4K4 O95819 2/20 0.51
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
CSF1R P07333 3/20 0.46
MYC P01106 1/20 0.46
PDGFRA P16234 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
CCR7 P32248 1/20 0.45
CCR6 P51684 1/20 0.45
FYN P06241 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
TNIK Q9UKE5 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL945123 0.84 IKBKB (0.49) LRRK2MAP4K4MKNK1MKNK2IKBKB
SCHEMBL30874237 0.83 ADORA3 (0.40) LRRK2MAP4K4MKNK1MKNK2MYC
SCHEMBL27772527 0.80 MKNK1 (0.51) MAP4K4MKNK1MKNK2CHUKMYC
Hydrochloric Acid SCHEMBL9792812 0.79 MKNK1 (0.52) MAP4K4MKNK1MKNK2CHUKMYC
SCHEMBL7064288 0.78 MKNK1 (0.57) MAP4K4MKNK1MKNK2IKBKBCHUK
SCHEMBL29516759 0.78 CHUK (0.56) MAP4K4MKNK1MKNK2IKBKBCHUK
SCHEMBL3993358 0.77 PTGS2 (0.54) LRRK2
SCHEMBL18076173 0.77 MKNK1 (0.51) MAP4K4MKNK1MKNK2IKBKBCHUK
SCHEMBL29735324 0.76 PLAU (0.54) MKNK1MKNK2IKBKBCHUKMYC
SCHEMBL2935534 0.76 PLAU (0.54) MKNK1MKNK2IKBKBCHUKMYC

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 117/4885MAP4K4 115/4885MKNK1 90/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MAP4K4 115/4885MKNK1 90/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 LRRK2 131/4885MAP4K4 120/4885MKNK1 86/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MAP4K4 115/4885MKNK1 90/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 LRRK2 118/4885MAP4K4 107/4885MKNK1 89/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885MAP4K4 115/4885MKNK1 90/4885

“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.