SCHEMBL4836834

SCHEMBL4836834

Cc1nc2cc(-c3ccccc3Cl)nn2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
HAVCR2 Q8TDQ0 3/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
XDH P47989 1/20 0.40
CNR1 P21554 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 3/20 0.38
PIM1 P11309 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4837313 0.76 KDM5B (0.44) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL5381153 0.75 DPP4 (0.53) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL5382159 0.73 DPP4 (0.51) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL4843180 0.73 XDH (0.47) HAVCR2KDM4EPOLBTP53XDH
SCHEMBL4837574 0.69 CNR1 (0.50) HAVCR2TP53XDHCNR1HSD17B10
SCHEMBL21775437 0.68 DPP4 (0.49) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL20064748 0.67 DPP4 (0.43) DPP4DPP8DPP9KDM4ETP53
SCHEMBL6855000 0.67 SMN1; SMN2 (0.43) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL13298005 0.67 DPP4 (0.45) DPP4DPP8DPP9KDM4EPOLB
SCHEMBL4833434 0.67 CNR1 (0.43) HAVCR2KDM4EPOLBTP53XDH

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-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
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO 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 DPP4 3718/4885DPP8 3312/4885DPP9 3810/4885

“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.