SCHEMBL4841960

SCHEMBL4841960

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RXFP1 Q9HBX9 3/20 0.41
THRB P10828 1/20 0.41
NTRK1 P04629 1/20 0.40
RAB9A P51151 3/20 0.39
POLB P06746 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL10847225 0.82 HSP90AA1 (0.43) KDM4ENPSR1LMNARXFP1THRB
SCHEMBL4839488 0.82 KDM4E (0.57) KDM4ENPSR1GAALMNAL3MBTL1
SCHEMBL1573189 0.79 KDM4E (0.44) KDM4ENPSR1GAALMNAL3MBTL1
SCHEMBL25603965 0.76 NPSR1 (0.63) KDM4ENPSR1LMNAL3MBTL1RXFP1
SCHEMBL4841626 0.75 KDM4E (0.41) KDM4ENPSR1GAALMNAL3MBTL1
SCHEMBL1573067 0.75 MAPT (0.46) KDM4ENPSR1GAALMNARAB9A
SCHEMBL4842281 0.73 KDM4E (0.45) KDM4ENPSR1GAALMNAL3MBTL1
SCHEMBL1572766 0.70 GAA (0.57) KDM4ENPSR1GAALMNARAB9A
SCHEMBL10645428 0.70 KDM4E (0.41) KDM4ENPSR1GAALMNAL3MBTL1
SCHEMBL5593010 0.69 KDM4E (0.55) KDM4EGAALMNAL3MBTL1THRB

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 9/4885GAA 3979/4885

“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.