SCHEMBL4839468

SCHEMBL4839468

O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(-n3ccnc3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
PDE5A O76074 3/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ABL1 P00519 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE2A O00408 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
CD38 P28907 1/20 0.34
ADH5 P11766 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4840994 0.78 PDE1A (0.45) NOTUMPDE3BPDE3APDE1APDE1B
SCHEMBL4842089 0.75 PDE1A (0.43) NOTUMPDE3BPDE3APDE1APDE1B
SCHEMBL4839988 0.75 PDE1A (0.47) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4836459 0.72 PDE1A (0.40) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4842041 0.70 PDE1A (0.38) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4832235 0.69 PDE1A (0.48) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4806700 0.68 SMN1; SMN2 (0.47) NOTUMPDE3BPDE3ACNR1CNR2
SCHEMBL4839896 0.67 CNR1 (0.46) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4841633 0.65 PDE3B (0.48) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4487962 0.63 LTK (0.44) ABL1SMN1; SMN2

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 NOTUM 1656/4885PDE3B 1918/4885PDE3A 1805/4885

“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.