SCHEMBL4842281

SCHEMBL4842281

NNc1ncnc(-c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADK P55263 2/20 0.42
CYP1A2 P05177 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
JAK2 O60674 1/20 0.40
SRC P12931 1/20 0.39
EGFR P00533 2/20 0.39
DPP4 P27487 1/20 0.38
MAP4K4 O95819 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
SCHEMBL31452816 0.84 LMNA (0.55) KDM4ELMNASMN1; SMN2GAAL3MBTL1
SCHEMBL4840266 0.79 KDM4E (0.50) KDM4ELMNAMAPTSMN1; SMN2HTT
SCHEMBL27975589 0.76 LMNA (0.42) KDM4ELMNAMAPTSMN1; SMN2HTT
SCHEMBL4841960 0.73 KDM4E (0.51) KDM4ELMNAMAPTSMN1; SMN2GAA
SCHEMBL4831989 0.73 MEN1 (0.35) KDM4ELMNAMAPTHTTGAA
SCHEMBL3708624 0.72 MAPT (0.39) KDM4ELMNAMAPTHTTGAA
SCHEMBL2129114 0.72 ADORA2A (0.56) KDM4ELMNAMAPTSMN1; SMN2HTT
SCHEMBL4841626 0.71 KDM4E (0.41) KDM4ELMNAMAPTSMN1; SMN2HTT
SCHEMBL29086642 0.71 SMN1; SMN2 (0.48) KDM4ELMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL29086549 0.71 SMN1; SMN2 (0.48) KDM4ELMNAMAPTSMN1; SMN2L3MBTL1

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 KDM4E 3169/4885LMNA 4614/4885MAPT 2322/4885

“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.