SCHEMBL947435

SCHEMBL947435

CCCNC(=O)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
IDO1 P14902 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MMP13 P45452 1/20 0.47
P2RX7 Q99572 1/20 0.46
PORCN Q9H237 1/20 0.46
RIPK1 Q13546 1/20 0.46
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
DYRK1A Q13627 2/20 0.45
WNT1 P04628 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL946826 0.89 MKNK1 (0.50) MMP13PORCNMKNK1MKNK2DYRK1A
SCHEMBL15104584 0.86 CTSA (0.51) KDM4ETP53NPC1ALDH1A1LMNA
SCHEMBL946084 0.83 MMP13 (0.46) MMP13PORCNMKNK1MKNK2DYRK1A
SCHEMBL30297902 0.82 KMO (0.49) KDM4EMMP13PORCNMKNK1MKNK2
SCHEMBL945363 0.82 MKNK1 (0.61) PORCNMKNK1MKNK2ALDH1A1WNT3A
SCHEMBL944293 0.81 LOXL2 (0.57) NAMPTMMP13PORCNDYRK1AWNT1
SCHEMBL13187767 0.80 HDAC6 (0.59) PORCNMKNK1MKNK2ALDH1A1
SCHEMBL6928772 0.80 GRM5 (0.59)
SCHEMBL14082505 0.80 MKNK1 (0.67) NAMPTIDO1RIPK1MKNK1MKNK2
SCHEMBL945235 0.80 USP30 (0.54) MMP13DYRK1A

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 NAMPT 4063/4885IDO1 3087/4885KDM4E 2485/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NAMPT 4063/4885IDO1 3087/4885KDM4E 2485/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 NAMPT 4027/4885IDO1 2957/4885KDM4E 2391/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NAMPT 4063/4885IDO1 3087/4885KDM4E 2485/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 NAMPT 4042/4885IDO1 2881/4885KDM4E 2486/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NAMPT 4063/4885IDO1 3087/4885KDM4E 2485/4885

“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.