SCHEMBL4835537

SCHEMBL4835537

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(NCc3ccccn3)n2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CNR1 P21554 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
P2RX3 P56373 1/20 0.39
HSP90AA1 P07900 1/20 0.37
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
FGFR1 P11362 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
SCHEMBL14003389 0.83 CNR1 (0.48) MAPTRAB9ACNR1CYP3A4CYP2C9
SCHEMBL14003395 0.81 CNR1 (0.42) MAPTALDH1A1RAB9AKMT2ACNR1
SCHEMBL14003392 0.81 ALDH1A1 (0.41) KDM4EMAPTALDH1A1KMT2ACNR1
SCHEMBL4838849 0.80 CNR1 (0.44) MAPTRAB9ACNR1CYP3A4CYP2C9
SCHEMBL4832075 0.79 CNR1 (0.55) CNR1CYP3A4CYP2C9
SCHEMBL4843705 0.77 MAPT (0.42) MAPTALDH1A1RAB9AKMT2ANPC1
SCHEMBL4835527 0.77 CNR1 (0.38) KDM4EMAPTALDH1A1NPSR1RAB9A
SCHEMBL14003391 0.72 MAPT (0.52) MAPTALDH1A1NPSR1RAB9AKMT2A
SCHEMBL14003390 0.71 ALDH1A1 (0.44) KDM4EMAPTALDH1A1NPSR1RAB9A
SCHEMBL4840650 0.70 CNR1 (0.42) MAPTNPSR1CNR1CYP3A4CYP2C9

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 3169/4885MAPT 2322/4885ALDH1A1 1549/4885

“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.