SCHEMBL935555

SCHEMBL935555

NC(=O)c1ncccc1-c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
HSP90AA1 P07900 7/20 0.46
MAP4K4 O95819 1/20 0.46
CSNK1G2 P78368 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AR P10275 1/20 0.44
MGAM O43451 1/20 0.44
IKBKB O14920 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL2405070 0.87 MGAM (0.53) CYP2A6PDGFRBPDGFRAMAP4K4CSNK1G2
SCHEMBL946135 0.86 MKNK1 (0.43) MKNK2ARNPC1RAB9A
SCHEMBL15408236 0.81 PDGFRB (0.53) PDGFRBPDGFRAIKBKBNPC1RAB9A
SCHEMBL995473 0.81 PARP1 (0.54) PDGFRBPDGFRAHSP90AA1MAP4K4CSNK1G2
SCHEMBL31127659 0.81 PARP1 (0.54) PDGFRBPDGFRAHSP90AA1MAP4K4CSNK1G2
SCHEMBL14917447 0.78 HSP90AA1 (0.46) CYP2A6PDGFRBPDGFRAHSP90AA1MAP4K4
SCHEMBL945449 0.78 HSP90AA1 (0.52) PDGFRBPDGFRAHSP90AA1MAP4K4CSNK1G2
SCHEMBL31032045 0.78 PARP1 (0.50) CYP2A6PDGFRBPDGFRAHSP90AA1MAP4K4
SCHEMBL30108283 0.78 PARP1 (0.50) CYP2A6PDGFRBPDGFRAHSP90AA1MAP4K4
SCHEMBL4936429 0.78 PARP1 (0.50) CYP2A6PDGFRBPDGFRAHSP90AA1MAP4K4

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 13 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
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP 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 CYP2A6 2788/4885PDGFRB 3724/4885PDGFRA 3556/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CYP2A6 2788/4885PDGFRB 3724/4885PDGFRA 3556/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CYP2A6 2794/4885PDGFRB 3743/4885PDGFRA 3640/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CYP2A6 2788/4885PDGFRB 3724/4885PDGFRA 3556/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 CYP2A6 2535/4885PDGFRB 3581/4885PDGFRA 3424/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CYP2A6 2788/4885PDGFRB 3724/4885PDGFRA 3556/4885

“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.