SCHEMBL12199282

SCHEMBL12199282

CC(C)(C)c1nc2ccccc(=O)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PKM P14618 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNKS2 Q9H2K2 2/20 0.38
TNKS O95271 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TXN P10599 1/20 0.37
PARP1 P09874 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CHEK1 O14757 1/20 0.34
IKBKB O14920 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL14012590 0.76 KIF11 (0.43) ADORA3ADORA2AADORA1PKMELANE
SCHEMBL6759198 0.76 ADORA3 (0.40) ADORA3ADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL17011661 0.76 PARP1 (0.56) ADORA3ADORA2AADORA1ELANEALDH1A1
SCHEMBL22648611 0.75 PARP1 (0.39) ADORA3ADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL10779491 0.75 PKM (0.70) PKMELANEALDH1A1TNKS2TNKS
SCHEMBL22648457 0.75 PARP1 (0.39) ADORA3ADORA2AADORA1PKMALDH1A1
SCHEMBL25890965 0.74 JAK2 (0.47) ADORA3ADORA2AADORA1PKMELANE
SCHEMBL12057078 0.74 MEN1 (0.44) ADORA3ADORA2AADORA1PKMELANE
SCHEMBL4728675 0.73 KDM5B (0.43) ADORA3ADORA2AADORA1ALDH1A1PARP1
SCHEMBL12261357 0.73 MAPT (0.46) ADORA3ADORA2AADORA1ELANEALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399444-B2 Bicyclic imidazole as DP1 receptor antagonists GlaxoSmithKline Intellectual Property Development Ltd. (GB) 2013-03-19 US disclosed
US-8399444-B2 Bicyclic imidazole as DP1 receptor antagonists GlaxoSmithKline Intellectual Property Development Ltd. (GB) 2013-03-19 US disclosed
EP-2373628-B1 Bicyclic imidazole derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-20110245310-A1 Novel Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2011-10-06 US disclosed
US-20110245310-A1 Novel Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2011-10-06 US disclosed
WO-2010070021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 WO 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-20110245310-A1 Novel Compounds HRH1, CMA1, HRH4 ADORA3 936/4885ADORA2A 1652/4885ADORA1 635/4885

“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.