SCHEMBL986289

SCHEMBL986289

O=C(c1ccccn1)N(c1ccccc1)c1nnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL15153061 0.81 NPC1 (0.41) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL2848952 0.81 LMNA (0.59) HDAC6L3MBTL1LMNANAPRTP4HTM
SCHEMBL4408034 0.77 ALDH1A1 (0.41) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL978875 0.76 HCAR2 (0.35)
SCHEMBL986589 0.76 TSHR (0.47) L3MBTL1LMNAKMT2AALDH1A1NPC1
SCHEMBL980180 0.76 LMNA (0.42) HDAC6L3MBTL1LMNANAPRTP4HTM
SCHEMBL980672 0.74 PTGIR (0.35) KMT2ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4484238 0.71 LMNA (0.55) HDAC6L3MBTL1LMNANAPRTP4HTM
SCHEMBL31006490 0.71 LMNA (0.55) HDAC6L3MBTL1LMNANAPRTP4HTM
SCHEMBL14885759 0.70 LMNA (0.57) HDAC6L3MBTL1LMNANAPRTP4HTM

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 HDAC6 1262/4885L3MBTL1 1536/4885LMNA 1056/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HDAC6 1262/4885L3MBTL1 1536/4885LMNA 1056/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 HDAC6 1360/4885L3MBTL1 1659/4885LMNA 1002/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HDAC6 1262/4885L3MBTL1 1536/4885LMNA 1056/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 HDAC6 1257/4885L3MBTL1 1586/4885LMNA 1072/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HDAC6 1262/4885L3MBTL1 1536/4885LMNA 1056/4885

“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.