SCHEMBL2393523

SCHEMBL2393523

COc1ccc(-n2cnc3ccc(Br)n3c2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.43
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
MCHR1 Q99705 5/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL2208264 0.87 MCHR1 (0.52) MCHR1
SCHEMBL2393029 0.78 MCHR1 (0.51) MCHR1ALDH1A1GAAMAPT
SCHEMBL2393458 0.78 MCHR1 (0.38) MCHR1
SCHEMBL10541896 0.70 CYP2C9 (0.47) BRD9SIK1SIK2SIK3CYP2C9
SCHEMBL2393014 0.69 MCHR1 (0.45) MCHR1ALDH1A1
SCHEMBL2393027 0.69 MCHR1 (0.43) MCHR1GAAMAPT
SCHEMBL2208636 0.68 MCHR1 (0.64) MCHR1
SCHEMBL2388824 0.68 MCHR1 (0.47) MCHR1
SCHEMBL29124530 0.68 ROCK2 (0.49) BRD9CYP2C9CYP1A2L3MBTL1LMNA
SCHEMBL18584767 0.68 SIK1 (0.60) SIK1SIK2SIK3ALDH1A1MAPT

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
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 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 (2 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R BRD9 3983/4885SIK1 3856/4885SIK2 4080/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R BRD9 3983/4885SIK1 3856/4885SIK2 4080/4885

“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.