SCHEMBL934340

SCHEMBL934340

O=C(NC(F)(F)F)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP13 P45452 1/20 0.46
KMO O15229 2/20 0.46
ABCB1 P08183 2/20 0.45
KDR P35968 2/20 0.44
NTRK1 P04629 1/20 0.44
DYRK1A Q13627 3/20 0.43
WNT1 P04628 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HTT P42858 1/20 0.43
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PORCN Q9H237 2/20 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
SCHEMBL944293 0.83 LOXL2 (0.57) ABL1L3MBTL1MMP13KMOABCB1
SCHEMBL13187767 0.82 HDAC6 (0.59) KMOABCB1MKNK1MKNK2ALDH1A1
SCHEMBL945363 0.81 MKNK1 (0.61) KMOABCB1MKNK1MKNK2ALDH1A1
SCHEMBL30297902 0.81 KMO (0.49) MMP13KMOMKNK1MKNK2KDM4E
SCHEMBL13187685 0.80 HDAC6 (0.57) KMOABCB1MKNK1MKNK2PORCN
SCHEMBL946826 0.78 MKNK1 (0.50) ABL1MMP13KMODYRK1AMKNK1
SCHEMBL944528 0.78 DYRK1A (0.57) KMODYRK1AMKNK1MKNK2PORCN
SCHEMBL30761145 0.78 IRAK4 (0.63) ABL1ABCB1KDRGAA
SCHEMBL946084 0.77 MMP13 (0.46) L3MBTL1MMP13KMODYRK1AMKNK1
SCHEMBL20448087 0.77 KMO (0.67) KMOMKNK1MKNK2KDM4EALDH1A1

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 ABL1 1531/4885L3MBTL1 1536/4885MMP13 3030/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ABL1 1531/4885L3MBTL1 1536/4885MMP13 3030/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ABL1 1462/4885L3MBTL1 1659/4885MMP13 3097/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ABL1 1531/4885L3MBTL1 1536/4885MMP13 3030/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ABL1 1347/4885L3MBTL1 1586/4885MMP13 2944/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ABL1 1531/4885L3MBTL1 1536/4885MMP13 3030/4885

“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.