SCHEMBL4836459

SCHEMBL4836459

CNc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2n[nH]c(=O)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.40
PDE1B Q01064 7/20 0.40
PDE3B Q13370 7/20 0.40
PDE1C Q14123 7/20 0.40
PDE3A Q14432 7/20 0.40
PDE5A O76074 5/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
PSD A5PKW4 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
ALPL P05186 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NCOA1 Q15788 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
SCHEMBL4842041 0.86 PDE1A (0.38) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4842089 0.83 PDE1A (0.43) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4840994 0.82 PDE1A (0.45) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4839988 0.80 PDE1A (0.47) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4832235 0.76 PDE1A (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4839468 0.72 NOTUM (0.40) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL27224357 0.69 MAPK14 (0.45) CNR1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL4832084 0.68 KDM4E (0.37) CNR1KDM4EHTTPOLBLMNA
SCHEMBL4841633 0.67 PDE3B (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL14003391 0.66 MAPT (0.52) CNR1POLBLMNASMN1; SMN2NPC1

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 7 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
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 WO 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 PDE1A 488/4885PDE1B 424/4885PDE3B 1918/4885

“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.