SCHEMBL945123

SCHEMBL945123

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KIF11 P52732 1/20 0.46
CCR7 P32248 1/20 0.45
CCR6 P51684 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MYC P01106 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
MAP4K4 O95819 1/20 0.41
GAA P10253 1/20 0.41
ALKBH2 Q6NS38 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
ADAMTS4 O75173 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL943650 0.84 LRRK2 (0.51) IKBKBCHUKCCR7CCR6MKNK1
SCHEMBL22037307 0.78 KIF11 (0.56) SMN1; SMN2NPC1RAB9AKIF11MAP4K4
SCHEMBL27772527 0.77 MKNK1 (0.51) CHUKKIF11MKNK1MKNK2MYC
Hydrochloric Acid SCHEMBL9792812 0.76 MKNK1 (0.52) CHUKSMN1; SMN2MKNK1MKNK2MYC
SCHEMBL7064288 0.75 MKNK1 (0.57) IKBKBCHUKMKNK1MKNK2MYC
SCHEMBL29516759 0.74 CHUK (0.56) IKBKBCHUKMKNK1MKNK2MYC
SCHEMBL8080277 0.74 SMN1; SMN2 (0.70) IKBKBCHUKSMN1; SMN2NPC1RAB9A
SCHEMBL7223701 0.74 MKNK1 (0.53) SMN1; SMN2MKNK1MKNK2MYCMAP4K4
SCHEMBL18076173 0.73 MKNK1 (0.51) IKBKBCHUKMKNK1MKNK2MYC
SCHEMBL29735324 0.73 PLAU (0.54) IKBKBCHUKMKNK1MKNK2MYC

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 IKBKB 169/4885CHUK 82/4885SMN1; SMN2 1575/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885SMN1; SMN2 1575/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 IKBKB 149/4885CHUK 77/4885SMN1; SMN2 1635/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885SMN1; SMN2 1575/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 IKBKB 163/4885CHUK 78/4885SMN1; SMN2 1552/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CHUK 82/4885SMN1; SMN2 1575/4885

“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.