SCHEMBL2644405

SCHEMBL2644405

CCNc1cccc([O])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
EGFR P00533 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.35

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
SCHEMBL3363357 0.84 MAPT (0.50) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4973943 0.83 MAPT (0.48) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL29671913 0.76 MAPT (0.72) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL2642927 0.76 MAPT (0.43) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL632292 0.76 MAPT (0.72) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7686927 0.75 THRA (0.44) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL2644122 0.75
SCHEMBL148749 0.74 EGFR (0.58) MAPTHTTLMNAEGFRKDM4E
SCHEMBL8284421 0.74 MAPT (0.42) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL1924992 0.74 MAPT (0.52) MAPTCYP1A2CYP2C19CYP3A4CYP2D6

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 12 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
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
US-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 EP disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 US disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP disclosed
US-6476057-B1 ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS; CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-11-05 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 (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 MAPT 4596/4885CYP1A2 1518/4885CYP2C19 2297/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MAPT 4612/4885CYP1A2 1602/4885CYP2C19 2361/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MAPT 4596/4885CYP1A2 1518/4885CYP2C19 2297/4885

“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.