SCHEMBL944293

SCHEMBL944293

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
ULK1 O75385 1/20 0.53
MARK3 P27448 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KDR P35968 2/20 0.49
FGFR3 P22607 1/20 0.49
GABRA5 P31644 1/20 0.46
MMP13 P45452 1/20 0.46
NAMPT P43490 1/20 0.44
ABL1 P00519 1/20 0.44
HTT P42858 1/20 0.43
ABCB1 P08183 2/20 0.43
KMO O15229 1/20 0.43
PORCN Q9H237 1/20 0.42
NTRK1 P04629 1/20 0.42
DYRK1A Q13627 2/20 0.41
WNT1 P04628 1/20 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
SCHEMBL946084 0.87 MMP13 (0.46) LOXL2L3MBTL1MMP13HTTKMO
SCHEMBL946826 0.83 MKNK1 (0.50) MMP13ABL1HTTKMOPORCN
SCHEMBL934340 0.83 ABL1 (0.46) L3MBTL1KDRMMP13ABL1HTT
SCHEMBL30297902 0.81 KMO (0.49) LOXL2MMP13KMOPORCN
SCHEMBL947435 0.81 NAMPT (0.51) MMP13NAMPTPORCNDYRK1AWNT1
SCHEMBL2115530 0.80 RAB9A (0.61) L3MBTL1GABRA5HTT
SCHEMBL13187767 0.79 HDAC6 (0.59) ABCB1KMOPORCN
SCHEMBL945235 0.79 USP30 (0.54) GABRA5MMP13ABL1DYRK1A
SCHEMBL945363 0.78 MKNK1 (0.61) ABCB1KMOPORCN
SCHEMBL31224167 0.78 LOXL2 (0.55) LOXL2ULK1NTRK1

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 LOXL2 1859/4885ULK1 371/4885MARK3 262/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LOXL2 1859/4885ULK1 371/4885MARK3 262/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 LOXL2 1797/4885ULK1 368/4885MARK3 315/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LOXL2 1859/4885ULK1 371/4885MARK3 262/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 LOXL2 1901/4885ULK1 362/4885MARK3 242/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LOXL2 1859/4885ULK1 371/4885MARK3 262/4885

“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.