SCHEMBL945010

SCHEMBL945010

NC(=O)c1ncccc1-c1cncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
PRKCZ Q05513 1/20 0.44
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CYP17A1 P05093 6/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 1/20 0.40
LRRK2 Q5S007 1/20 0.40
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
PLAU P00749 1/20 0.39
PARP1 P09874 1/20 0.39
ROCK2 O75116 1/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL28501811 0.85 PARP1 (0.46) SLC22A12CYP3A4PARP1KDM4E
SCHEMBL29531929 0.81 LCK (0.40) SLC22A12PRKCZLCKBTKPLAU
SCHEMBL4560363 0.79 MKNK1 (0.50) CYP3A4PARP1KDM4E
SCHEMBL15730740 0.74 KCNA5 (0.48) SLC22A12PRKCZKCNA5KCNH2IKBKE
SCHEMBL20873066 0.74 PRKCZ (0.64) SLC22A12PRKCZKCNA5KCNH2CYP17A1
SCHEMBL4805739 0.73 ALDH1A1 (0.46) CYP3A4LCKBTKPARP1KDM4E
SCHEMBL3100405 0.72 NPC1 (0.50) BTKPLAUPARP1KDM4E
SCHEMBL30165669 0.72 MKNK1 (0.56) CYP3A4
SCHEMBL2572631 0.72 MKNK1 (0.56) CYP3A4
SCHEMBL29594571 0.72 MKNK1 (0.56) CYP3A4

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 SLC22A12 4684/4885PRKCZ 376/4885KCNA5 2737/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SLC22A12 4684/4885PRKCZ 376/4885KCNA5 2737/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 SLC22A12 4715/4885PRKCZ 339/4885KCNA5 2599/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SLC22A12 4684/4885PRKCZ 376/4885KCNA5 2737/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 SLC22A12 4692/4885PRKCZ 349/4885KCNA5 2563/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SLC22A12 4684/4885PRKCZ 376/4885KCNA5 2737/4885

“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.