SCHEMBL934339

SCHEMBL934339

NC(=O)c1cc(-c2cccnc2C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
SCN9A Q15858 11/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
GRM2 Q14416 1/20 0.42
TGFBR1 P36897 1/20 0.42
METAP2 P50579 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CYP2C9 P11712 2/20 0.39
SCN5A Q14524 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR7 P32248 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL944215 0.81 MKNK1 (0.44) DHODHSCN9ATGFBR1MKNK1MKNK2
SCHEMBL945750 0.80 SCN9A (0.55) SCN9ASCN10ATGFBR1SCN5A
SCHEMBL944292 0.80 TGFBR1 (0.40) SCN9ASCN10AGRM2TGFBR1METAP2
SCHEMBL945199 0.79 MKNK1 (0.43) SCN9ASCN10ATGFBR1MKNK1MKNK2
SCHEMBL945362 0.78 MKNK1 (0.63) DHODHSCN9ATGFBR1METAP2MKNK1
SCHEMBL30628781 0.76 DHODH (0.40) DHODHSCN9ASCN10AGRM2TGFBR1
SCHEMBL30635221 0.76 RAF1 (0.47) SCN9ASCN10AKMT2A
SCHEMBL944527 0.75 MKNK1 (0.42) SCN9ATGFBR1MKNK1MKNK2
SCHEMBL30810274 0.75 NUDT1 (0.49) DHODHHTTHSD17B10MKNK1MKNK2
SCHEMBL233226 0.74 DHODH (0.46) DHODHSCN9AGRM2METAP2MKNK1

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-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
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO 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 DHODH 4780/4885SCN9A 4101/4885SCN10A 4162/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885SCN9A 4101/4885SCN10A 4162/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 DHODH 4761/4885SCN9A 4070/4885SCN10A 4108/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885SCN9A 4101/4885SCN10A 4162/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 DHODH 4795/4885SCN9A 4036/4885SCN10A 4112/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885SCN9A 4101/4885SCN10A 4162/4885

“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.