SCHEMBL3476875

SCHEMBL3476875

CCn1c2c(c3ccc(Br)cc31)CN(C(=O)O)CC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.50
PTGDR2 Q9Y5Y4 9/20 0.48
CYP2C9 P11712 2/20 0.43
KRAS P01116 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
HTR5A P47898 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
HDAC10 Q969S8 1/20 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
SCHEMBL3477166 0.85 KRAS (0.55) BAZ2BPTGDR2KRASAKR1B10AKR1B1
SCHEMBL3477090 0.84 BAZ2B (0.53) BAZ2BPTGDR2HDAC6HDAC1HTR5A
SCHEMBL19132555 0.83 PTGDR2 (0.66) PTGDR2CYP2C9HDAC6HDAC1HTR5A
SCHEMBL3476860 0.78 BAZ2B (0.47) BAZ2BPTGDR2CYP2C9KRASHDAC6
SCHEMBL1005049 0.77 BAZ2B (0.46) BAZ2BHDAC6HDAC1HTR5AHDAC10
SCHEMBL3475264 0.77 BAZ2B (0.44) BAZ2BKRASHDAC6HTR5A
SCHEMBL1004240 0.75 GRM5 (0.46) BAZ2BHDAC6HDAC1HTR5AHDAC10
SCHEMBL3475930 0.75 HTR6 (0.50) BAZ2BPTGDR2HDAC6HDAC1
SCHEMBL12127719 0.74 HDAC6 (0.52) BAZ2BPTGDR2KRASAKR1B10AKR1B1
SCHEMBL600037 0.73 AKR1B10 (0.70) BAZ2BPTGDR2AKR1B10AKR1B1HDAC6

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 370/4885PTGDR2 316/4885CYP2C9 153/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885PTGDR2 329/4885CYP2C9 168/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885PTGDR2 316/4885CYP2C9 153/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885PTGDR2 329/4885CYP2C9 168/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885PTGDR2 329/4885CYP2C9 168/4885

“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.