SCHEMBL8302961

SCHEMBL8302961

N#CCc1cccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.47
ASIC3 Q9UHC3 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 3/20 0.43
TRPV3 Q8NET8 1/20 0.43
HTT P42858 1/20 0.41
CTSK P43235 1/20 0.41
PDE10A Q9Y233 2/20 0.40
USP30 Q70CQ3 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL17873448 0.84 IRAK4 (0.45) RAB9AMEN1KMT2AIRAK4MAPT
SCHEMBL13037345 0.81 MEN1 (0.54) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL1426671 0.80 MEN1 (0.50) MEN1KMT2ALMNAIRAK4MAPT
SCHEMBL5645917 0.78 MEN1 (0.65) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL5114437 0.78 MEN1 (0.65) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL13830980 0.75 MEN1 (0.60) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL2953474 0.75 MEN1 (0.60) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL4435179 0.75 MEN1 (0.60) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL5376937 0.75 MEN1 (0.60) RAB9AMEN1KMT2AASIC3MAPT
SCHEMBL13283433 0.75 RAB9A (0.60) RAB9AMEN1KMT2AASIC3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 4495/4885MEN1 3686/4885KMT2A 4507/4885

“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.