SCHEMBL2211216

SCHEMBL2211216

COC(=O)c1ncccc1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
DHODH Q02127 1/20 0.47
SLC6A3 Q01959 1/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX15 P16050 2/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7367762 0.91 L3MBTL1 (0.50) L3MBTL1TDP1TSHRALDH1A1HPGD
SCHEMBL7368006 0.91 L3MBTL1 (0.53) L3MBTL1TDP1TSHRALDH1A1RAB9A
SCHEMBL7368513 0.88 TDP1 (0.50) L3MBTL1TDP1ALDH1A1RAB9AKDM4E
SCHEMBL7364891 0.88 TDP1 (0.56) L3MBTL1TDP1TSHRALDH1A1HPGD
SCHEMBL10480612 0.87 L3MBTL1 (0.49) L3MBTL1TDP1TSHRRAB9APOLB
SCHEMBL7370163 0.87 L3MBTL1 (0.49) L3MBTL1TDP1ALDH1A1HPGDPKM
SCHEMBL7364122 0.87 KMT2A (0.52) L3MBTL1TDP1ALDH1A1HPGDRAB9A
SCHEMBL16535021 0.87 ALDH1A1 (0.62) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL7365118 0.87 ALOX15 (0.50) L3MBTL1TDP1TSHRALDH1A1HPGD
SCHEMBL7360329 0.85 KDM4E (0.56) L3MBTL1TDP1TSHRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
CN-1045962-C Pyridopyridazinone or pyridinopyridazinethione compounds, intermediates for their preparation, pharmaceutical compositions containing them and their use SYNTEX INC (US) 1999-10-27 CN disclosed
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
CN-1088927-A Benzo and pyrido pyridazinone and pyridazinthione compounds SYNTEX A INC (US) 1994-07-06 CN disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 L3MBTL1 4342/4885TDP1 4577/4885TSHR 2279/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 L3MBTL1 4359/4885TDP1 4580/4885TSHR 2160/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 L3MBTL1 4342/4885TDP1 4577/4885TSHR 2279/4885

“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.