SCHEMBL944490

SCHEMBL944490

NC(=O)c1cc(-c2cccnc2N2CCCC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.50
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CDC7 O00311 1/20 0.41
CDK9 P50750 1/20 0.41
METAP2 P50579 3/20 0.41

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
SCHEMBL945199 0.77 MKNK1 (0.43) SCN10AKDM4ETSHR
SCHEMBL944215 0.76 MKNK1 (0.44)
SCHEMBL945362 0.76 MKNK1 (0.63) METAP2P2RX7
SCHEMBL883905 0.75 KMT2A (0.58) CYP1A2CYP2C9CYP2C19SCN10AKDM4E
SCHEMBL945835 0.74 PDE10A (0.42) CDC7
SCHEMBL28189129 0.74 KMT2A (0.60) CYP1A2CYP2C9CYP2C19SCN10AALDH1A1
SCHEMBL944527 0.73 MKNK1 (0.42) CDC7
SCHEMBL30489430 0.73 USP30 (0.47) SCN10AKDM4EALDH1A1GAAHPGD
SCHEMBL24377491 0.73 ALDH1A1 (0.55) ALOX5APCYP1A2CYP2C9CYP2C19SCN10A
SCHEMBL944044 0.72 MKNK1 (0.41) KDM4EALDH1A1CDC7METAP2

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 ALOX5AP 3350/4885CYP1A2 3871/4885CYP2C9 4480/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALOX5AP 3350/4885CYP1A2 3871/4885CYP2C9 4480/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ALOX5AP 3272/4885CYP1A2 3806/4885CYP2C9 4507/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALOX5AP 3350/4885CYP1A2 3871/4885CYP2C9 4480/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ALOX5AP 3369/4885CYP1A2 3578/4885CYP2C9 4303/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALOX5AP 3350/4885CYP1A2 3871/4885CYP2C9 4480/4885

“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.