SCHEMBL4836554

SCHEMBL4836554

O=c1[nH]nc2cc(-c3ccc(Cl)cc3)ncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
ALPL P05186 1/20 0.42
NOTUM Q6P988 4/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMO O15229 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
METAP2 P50579 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23858893 0.84 PDE3B (0.48) NOTUMKDM5BKDM4ENPC1POLB
SCHEMBL18632542 0.74 SCN5A (0.61) NOTUMALDH1A1NPC1RAB9A
SCHEMBL20772757 0.71 PARP1 (0.42) NOTUM
SCHEMBL3555401 0.70 CNR1 (0.43) ALPLNOTUMKDM4EALDH1A1MEN1
SCHEMBL2462263 0.69 SCN5A (0.48) NOTUMALDH1A1GAAPOLB
SCHEMBL4841633 0.68 PDE3B (0.48) KDM4EMAPTGAA
SCHEMBL25338408 0.68 CHEK1 (0.31)
SCHEMBL3525385 0.68 PDE5A (0.43) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL4867170 0.67 NOTUM (0.51) NOTUM
SCHEMBL20772287 0.66 NOTUM (0.39) NOTUMKDM4EALDH1A1MAPTMEN1

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 CA12 4523/4885ALPL 4178/4885NOTUM 1656/4885

“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.