SCHEMBL4837313

SCHEMBL4837313

O=c1[nH]cnc2cc(-c3ccccc3Cl)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.44
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAOB P27338 1/20 0.38
MET P08581 2/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
PDGFRB P09619 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
SCHEMBL3749203 0.81 NPC1 (0.48) KDM5BMETAURKAPARP1MAP2K1
SCHEMBL4836834 0.76 DPP4 (0.47) KDM5BDPP4DPP8DPP9PIM1
SCHEMBL5385950 0.74 MAPT (0.46) KDM5BDPP4DPP8DPP9MAPK14
SCHEMBL5382512 0.70 KDM5B (0.42) KDM5BDPP4DPP8DPP9MAOB
SCHEMBL4834205 0.70 XDH (0.43) KDM5BCCNE2CCNE1CDK2MET
SCHEMBL4836399 0.68 CNR1 (0.38) CCNE2CCNE1CDK2MAPK14ALDH1A1
SCHEMBL5381153 0.66 DPP4 (0.53) DPP4DPP8DPP9MAPTCYP3A4
SCHEMBL4054398 0.65 PARP1 (0.69) PARP1CYP1A2
SCHEMBL5382159 0.64 DPP4 (0.51) DPP4DPP8DPP9MAPTHTT
SCHEMBL6855000 0.63 SMN1; SMN2 (0.43) DPP4DPP8DPP9GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM5B 3747/4885CCNE2 3669/4885CCNE1 3466/4885

“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.