SCHEMBL4841633

SCHEMBL4841633

O=c1[nH]nc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)ncn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
RET P07949 1/20 0.44
MET P08581 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MST1R Q04912 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALK Q9UM73 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PDE5A O76074 4/20 0.43
PDE1A P54750 4/20 0.43
PDE1B Q01064 4/20 0.43
PDE1C Q14123 4/20 0.43
PSD A5PKW4 3/20 0.42

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
SCHEMBL30268976 0.80 ADORA2A (0.48) PDE3BPDE3ARETMETLTK
SCHEMBL30361793 0.78 PDE3B (0.44) PDE3BPDE3ARETMETLTK
SCHEMBL30434733 0.77 PDE5A (0.55) PDE3BPDE3ARETMETLTK
SCHEMBL4832235 0.73 PDE1A (0.48) PDE3BPDE3APDE5APDE1APDE1B
SCHEMBL30361845 0.73 ADORA2A (0.44) PDE3BPDE3ARETMETLTK
SCHEMBL30218238 0.73 ADORA2A (0.44) PDE3BPDE3ARETMETLTK
SCHEMBL4474332 0.71 LTK (0.49) PDE3BPDE3ARETMETLTK
SCHEMBL4840994 0.71 PDE1A (0.45) PDE3BPDE3APDE5APDE1APDE1B
SCHEMBL4839988 0.69 PDE1A (0.47) PDE3BPDE3APDE5APDE1APDE1B
SCHEMBL4842089 0.69 PDE1A (0.43) PDE3BPDE3APDE5APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 PDE3B 1918/4885PDE3A 1805/4885RET 251/4885

“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.