SCHEMBL2643052

SCHEMBL2643052

CCS(=O)(=O)c1cc(CN)ccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.47
LOX P28300 5/20 0.47
PSIP1 O75475 1/20 0.47
LOXL3 P58215 1/20 0.47
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ROCK1 Q13464 1/20 0.38
CCR1 P32246 1/20 0.36

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
SCHEMBL7421435 0.85 LOXL2 (0.41) LOXL2LOXPSIP1LOXL3NOS3
SCHEMBL2644514 0.84 LOXL2 (0.49) LOXL2LOXPSIP1LOXL3NOS3
SCHEMBL2643049 0.84 CCR1 (0.37) LOXL2LOXPSIP1NOS3NOS1
Hydrochloric Acid SCHEMBL568429 0.82 LOXL2 (0.47) LOXL2LOXPSIP1LOXL3NOS3
SCHEMBL19277452 0.82 RECQL (0.47) PSIP1NOS3NOS1NOS2CCR1
SCHEMBL3126699 0.81 LOXL2 (0.50) LOXL2LOXLOXL3ROCK1
SCHEMBL3121483 0.80 GABRP (0.41) NOS3NOS1NOS2CCR1
SCHEMBL3131686 0.80 LOXL2 (0.42) LOXL2LOXLOXL3ROCK1
SCHEMBL7528452 0.80 LOXL2 (0.50) LOXL2LOXPSIP1LOXL3ROCK1
SCHEMBL4637636 0.79 LOXL2 (0.45) LOXL2LOXLOXL3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
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-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LOXL2 3029/4885LOX 3862/4885PSIP1 4704/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885PSIP1 3906/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LOXL2 1706/4885LOX 1735/4885PSIP1 3366/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885LOX 1812/4885PSIP1 3913/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885PSIP1 3906/4885

“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.