SCHEMBL4839488

SCHEMBL4839488

CSc1nc(Cl)c(-c2ccccc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.42
NTRK1 P04629 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7699598 0.84 KDM4E (0.49) KDM4ENPSR1L3MBTL1LMNACYP1A2
SCHEMBL4844072 0.84 KDM4E (0.49) KDM4ENPSR1L3MBTL1LMNACYP1A2
SCHEMBL4841960 0.82 KDM4E (0.51) KDM4ENPSR1L3MBTL1GAALMNA
SCHEMBL25603965 0.82 NPSR1 (0.63) KDM4ENPSR1L3MBTL1LMNANTRK1
SCHEMBL1572963 0.79 KDM4E (0.55) KDM4ENPSR1L3MBTL1GAALMNA
SCHEMBL1572910 0.79 KDM4E (0.55) KDM4ENPSR1L3MBTL1GAALMNA
SCHEMBL31626487 0.78 DPP4 (0.55) KDM4ENPSR1L3MBTL1GAALMNA
SCHEMBL7699109 0.76 CYP1A2 (0.50) KDM4ENPSR1LMNACYP1A2CYP2C9
SCHEMBL2876019 0.76 HSP90AA1 (0.50) KDM4ENPSR1L3MBTL1LMNAKMT2A
SCHEMBL2876016 0.76 KDM4E (0.43) KDM4ENPSR1L3MBTL1LMNACYP1A2

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 3169/4885NPSR1 9/4885L3MBTL1 4043/4885

“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.