SCHEMBL6099962

SCHEMBL6099962

O=c1[nH]nc2ncc(-c3ccncc3)c(-c3ccc(Cl)cc3)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.39
CHEK1 O14757 3/20 0.39
GCGR P47871 2/20 0.37
MAPK14 Q16539 2/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
LSS P48449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 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
SCHEMBL6101966 0.70 MAPK14 (0.40) RAB9ASMN1; SMN2KDRGCGRMAPK14
SCHEMBL6101192 0.70 MAPK14 (0.40) RAB9ASMN1; SMN2KDRGCGRMAPK14
SCHEMBL4798689 0.68 RAB9A (0.50) NPC1MAPTRAB9ASMN1; SMN2KDR
SCHEMBL23858869 0.67 CHEK1 (0.43) NPC1MAPTRAB9ASMN1; SMN2KDR
SCHEMBL6102380 0.66 MAPK14 (0.57) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL4474749 0.66 LTK (0.44) NPC1MAPTRAB9ASMN1; SMN2KDR
SCHEMBL4487962 0.66 LTK (0.44) NPC1MAPTRAB9ASMN1; SMN2KDR
SCHEMBL30978979 0.65 KMO (0.40) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4806075 0.63 MAPK14 (0.46) NPC1MAPTRAB9ASMN1; SMN2GCGR
SCHEMBL4802594 0.62 RAB9A (0.41) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287342-A1 Triazolopyrimidine heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287342-A1 Triazolopyrimidine heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NPC1 1124/4885MAPT 2586/4885RAB9A 1762/4885

“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.