SCHEMBL3476808

SCHEMBL3476808

Cn1c2c(c3cc(Br)ccc31)CCN(C(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 4/20 0.53
KRAS P01116 4/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRM5 P41594 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MCL1 Q07820 1/20 0.39
HTR5A P47898 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR6 P50406 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3475264 0.90 BAZ2B (0.44) BAZ2BKRASHDAC6GRM5MCL1
SCHEMBL3478355 0.83 KRAS (0.57) BAZ2BKRASHDAC1HDAC6GRM5
SCHEMBL1006124 0.82 BAZ2B (0.40) BAZ2BGRM5ALOX5PTGS1PTGS2
SCHEMBL969366 0.81 HTR5A (0.52) HDAC6HTR5A
SCHEMBL1004240 0.81 GRM5 (0.46) BAZ2BHDAC1HDAC6GRM5MCL1
SCHEMBL3476111 0.80 HDAC6 (0.38) BAZ2BKRASHDAC6GRM5ALOX5
SCHEMBL3477090 0.80 BAZ2B (0.53) BAZ2BHDAC1HDAC6GRM5HTR5A
SCHEMBL1005049 0.75 BAZ2B (0.46) BAZ2BHDAC1HDAC6HTR5ACNR1
SCHEMBL12127700 0.75 BAZ2B (0.57) BAZ2BKRASHDAC1HDAC6CNR1
SCHEMBL3477812 0.74 KRAS (0.57) BAZ2BKRASHDAC1HDAC6

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 10 patents. 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-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
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP 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 (5 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 370/4885KRAS 1266/4885HDAC1 1578/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885KRAS 1105/4885HDAC1 1776/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885KRAS 1266/4885HDAC1 1578/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885KRAS 1105/4885HDAC1 1776/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885KRAS 1105/4885HDAC1 1776/4885

“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.