SCHEMBL945235

SCHEMBL945235

O=C(NCC1CC1)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
GSK3B P49841 6/20 0.53
KCNH2 Q12809 2/20 0.53
HIF1A Q16665 1/20 0.51
MLLT1 Q03111 1/20 0.47
ACHE P22303 2/20 0.47
GABRA5 P31644 1/20 0.47
VCP P55072 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
CNR1 P21554 1/20 0.46
ATM Q13315 1/20 0.45
ATR Q13535 1/20 0.45
MMP13 P45452 1/20 0.45
DYRK1A Q13627 1/20 0.45
ABL1 P00519 1/20 0.45
CACNA1I Q9P0X4 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 0.82 MKNK1 (0.50) MMP13DYRK1AABL1
SCHEMBL945836 0.81 DYRK1A (0.58) USP30KCNH2DYRK1A
SCHEMBL30297902 0.80 KMO (0.49) MMP13
SCHEMBL947435 0.80 NAMPT (0.51) MMP13DYRK1A
SCHEMBL944293 0.79 LOXL2 (0.57) GABRA5MMP13DYRK1AABL1
SCHEMBL946084 0.79 MMP13 (0.46) MMP13DYRK1A
SCHEMBL13187767 0.78 HDAC6 (0.59)
SCHEMBL945363 0.77 MKNK1 (0.61)
SCHEMBL31055404 0.76 GABRA5 (0.48) GSK3BKCNH2ACHEGABRA5VCP
SCHEMBL13980804 0.76 PIK3C3 (0.48) USP30KCNH2HIF1AMLLT1PIK3C3

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 USP30 1708/4885GSK3B 119/4885KCNH2 3776/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885GSK3B 119/4885KCNH2 3776/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 USP30 1756/4885GSK3B 112/4885KCNH2 3664/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885GSK3B 119/4885KCNH2 3776/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 USP30 1724/4885GSK3B 125/4885KCNH2 3672/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 USP30 1708/4885GSK3B 119/4885KCNH2 3776/4885

“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.