SCHEMBL133378

SCHEMBL133378

O=c1cc(-c2ccc(C(F)(F)F)nc2)cc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOTUM Q6P988 1/20 0.46
PIK3CA P42336 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
METAP2 P50579 2/20 0.43
KCNH2 Q12809 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SCN8A Q9UQD0 3/20 0.42
SCN10A Q9Y5Y9 3/20 0.42
TRPV4 Q9HBA0 1/20 0.41
MCHR1 Q99705 2/20 0.40

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
SCHEMBL152544 0.81 HDAC6 (0.50) MAP4K4HDAC6NOTUMPDE3BPDE3A
SCHEMBL29417235 0.78 TRPV4 (0.44) MAP4K4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL27943931 0.77 MAP3K11 (0.50) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL155632 0.76 HDAC6 (0.52) MAP4K4HDAC6NOTUMMCHR1
SCHEMBL2405938 0.76 KIT (0.43) MAP4K4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL94455 0.76 MAP4K4 (0.51) MAP4K4HDAC6NOTUMPIK3CAPI4KB
SCHEMBL28113161 0.76 MAP4K4 (0.58) MAP4K4NOTUMPIK3CDMETAP2KCNH2
SCHEMBL1004952 0.75 TRPV3 (0.46) PIK3CAKCNH2
SCHEMBL133043 0.75 NOTUM (0.58) MAP4K4HDAC6NOTUMKCNH2SCN8A
SCHEMBL29652345 0.74 RIPK1 (0.59) MAP4K4PIK3CAPIK3CDPIK3CBPIK3CG

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 MAP4K4 4017/4885HDAC6 2849/4885NOTUM 4391/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAP4K4 4123/4885HDAC6 3011/4885NOTUM 4408/4885
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E MAP4K4 3382/4885HDAC6 3721/4885NOTUM 2654/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 MAP4K4 4017/4885HDAC6 2849/4885NOTUM 4391/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAP4K4 4123/4885HDAC6 3011/4885NOTUM 4408/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAP4K4 4123/4885HDAC6 3011/4885NOTUM 4408/4885

“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.