SCHEMBL5622301

SCHEMBL5622301

N#CC(c1cccnc1)c1ccnc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.41
CYP19A1 P11511 2/20 0.40
MAPK8 P45983 1/20 0.37
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 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
SCHEMBL8306712 0.77 CYP19A1 (0.38) MAPK9MAPK10L3MBTL1CYP19A1CFTR
SCHEMBL19500895 0.75 MAPK9 (0.58) MAPK9MAPK10L3MBTL1SLC6A2SLC6A4
SCHEMBL8307228 0.73 MAPK9 (0.50) MAPK9MAPK10L3MBTL1
SCHEMBL2842596 0.73 CFTR (0.57) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL13716248 0.71 KCNA5 (0.41) CYP19A1ALDH1A1
SCHEMBL8302973 0.71 MAPK9 (0.48) MAPK9MAPK10L3MBTL1
SCHEMBL24109635 0.71 KCNA5 (0.42) L3MBTL1CYP19A1ATMSMN1; SMN2ALDH1A1
SCHEMBL9455449 0.70 CYP19A1 (0.41) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8308003 0.69 CDC7 (0.46) MAPK9MAPK8ATMALDH1A1
SCHEMBL24350064 0.69 MAPK9 (0.43) MAPK9MAPK10L3MBTL1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US claimed
EP-1633363-B1 PYRIDINYL ACETONITRILES MERCK SERONO SA (CH) 2012-11-07 EP disclosed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US disclosed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US disclosed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US disclosed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US disclosed
WO-2004098607-A1 PYRIDINYL ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N. V. (AN) 2004-11-18 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 (1 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-20070060594-A1 Pyridinyl acetonitriles GSK3B, GSK3A, MAPK3 MAPK9 105/4885MAPK10 86/4885L3MBTL1 4865/4885

“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.