SCHEMBL4800330

SCHEMBL4800330

O=c1[nH]ncc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.63
MAPK13 O15264 3/20 0.63
MAPK12 P53778 3/20 0.63
MAPK11 Q15759 3/20 0.63
GCGR P47871 2/20 0.46
JAK2 O60674 1/20 0.44
RET P07949 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MAP4K2 Q12851 1/20 0.44
TGFBR1 P36897 1/20 0.43
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL4806075 0.85 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4183686 0.81 PTGS1 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4038600 0.81 KMT2A (0.54) MAPK14GCGRCDK2GSK3B
SCHEMBL3867881 0.80 PTGS2 (0.54)
SCHEMBL27470573 0.79 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5252677 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL13950787 0.77 JAK2 (0.38) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL13928124 0.76 JAK2 (0.38) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL4049176 0.76 MAPT (0.47) MAPK14TGFBR1RPS6KA3
SCHEMBL8212288 0.75 AKT1 (0.53) MAPK14TGFBR1AURKACDK1LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 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 (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-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR MAPK14 2315/4885MAPK13 1689/4885MAPK12 1886/4885

“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.