SCHEMBL2643049

SCHEMBL2643049

CCS(=O)(=O)c1cc(C[NH])ccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PSIP1 O75475 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
COMT P21964 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
NPC1 O15118 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL2643052 0.84 LOXL2 (0.47) CCR1NOS3NOS1NOS2PSIP1
SCHEMBL19277452 0.84 RECQL (0.47) CCR1NOS3NOS1NOS2PSIP1
SCHEMBL2644511 0.83 CCR1 (0.36) CCR1NOS3NOS1NOS2ALDH1A1
SCHEMBL2642562 0.79 SCN10A (0.35) CCR1PSIP1SCN10ACOMTALDH1A1
SCHEMBL3121483 0.78 GABRP (0.41) CCR1NOS3NOS1NOS2PKM
SCHEMBL2642943 0.77 UHRF1 (0.45) CCR1NOS3NOS1NOS2ALDH1A1
SCHEMBL2643226 0.77 PSIP1 (0.34) CCR1NOS3NOS1NOS2PSIP1
SCHEMBL2642566 0.76 GAA (0.42) NOS3NOS1NOS2PSIP1SCN10A
SCHEMBL845525 0.76 ALDH1A1 (0.44) PKMALDH1A1L3MBTL1NPC1KDM4E
SCHEMBL2643227 0.76 PSIP1 (0.33) CCR1PSIP1SCN10ACOMT

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 6 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-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 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 CCR1 3958/4885NOS3 1046/4885NOS1 1423/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 CCR1 3864/4885NOS3 1081/4885NOS1 1500/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CCR1 3958/4885NOS3 1046/4885NOS1 1423/4885

“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.