SCHEMBL4800478

SCHEMBL4800478

NNc1nncc(-c2ccc(Cl)cc2)c1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GCGR P47871 7/20 0.38
MAPK14 Q16539 7/20 0.38
AKT1 P31749 2/20 0.38
KDR P35968 2/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDO2 P48775 1/20 0.36
FLT3 P36888 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL4049604 0.93 KDM4E (0.41) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4806059 0.86 MAPK14 (0.43) GCGRMAPK14KDRSRCBRAF
SCHEMBL4807527 0.83 KDM4E (0.44) MAPTKDM4EGCGRMAPK14KDR
SCHEMBL27647803 0.80 GCGR (0.43) MAPTSMN1; SMN2KDM4ELMNAGCGR
SCHEMBL4805328 0.80 GCGR (0.43) MAPTSMN1; SMN2KDM4ELMNAGCGR
SCHEMBL4469263 0.79 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4808609 0.79 KDM4E (0.39) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4805736 0.79 KDM4E (0.42) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4046888 0.71 PTGS2 (0.40) MAPTSMN1; SMN2KDM4EHTTTDO2
SCHEMBL3550447 0.70 GOT1 (0.47) MAPTSMN1; SMN2KDM4ELMNAHTT

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 9 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
CN-1918165-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN 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 MAPT 4480/4885SMN1; SMN2 3079/4885KDM4E 1199/4885

“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.