SCHEMBL3477090

SCHEMBL3477090

Cn1c2c(c3ccc(Br)cc31)CN(C(=O)O)CC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 5/20 0.53
MCHR1 Q99705 1/20 0.45
HDAC6 Q9UBN7 4/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HTR5A P47898 2/20 0.43
HDAC1 Q13547 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
GRM5 P41594 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL1005049 0.93 BAZ2B (0.46) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL1004240 0.91 GRM5 (0.46) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL3475264 0.90 BAZ2B (0.44) BAZ2BMCHR1HDAC6HTR5AGRM5
SCHEMBL1006124 0.85 BAZ2B (0.40) BAZ2BMCHR1HTR5AGRM5EGLN1
SCHEMBL12127719 0.84 HDAC6 (0.52) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL3476875 0.84 BAZ2B (0.50) BAZ2BHDAC6HDAC10HTR5AHDAC1
SCHEMBL3476322 0.83 KRAS (0.51) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL29983586 0.83 KRAS (0.51) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL28473909 0.81 CYP1A2 (0.62) BAZ2BHDAC6HDAC10HDAC8HTR5A
SCHEMBL3476860 0.81 BAZ2B (0.47) BAZ2BHDAC6HDAC1PTGDR2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP 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-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
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-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 US disclosed
US-8697700-B2 Piperazinone-substituted tetrahydro-carboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-15 US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP disclosed
WO-2012088038-A2 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
US-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885MCHR1 411/4885HDAC6 2849/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MCHR1 399/4885HDAC6 3011/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885MCHR1 411/4885HDAC6 2849/4885
US-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC1R BAZ2B 1861/4885MCHR1 1/4885HDAC6 1462/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MCHR1 399/4885HDAC6 3011/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MCHR1 399/4885HDAC6 3011/4885

“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.