SCHEMBL2144361

SCHEMBL2144361

Cc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)no1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ADORA1 P30542 2/20 0.44
RAB9A P51151 5/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.39

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
Succinchlorimide SCHEMBL17685407 0.88 KDM4E (0.43) KDM4EADORA1RAB9ACNR2NPC1
SCHEMBL921576 0.76 L3MBTL1 (0.54) KDM4EADORA1RAB9AMEN1KMT2A
SCHEMBL30485981 0.74 RAB9A (0.68) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL126159 0.74 RAB9A (0.68) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7478159 0.72 MAP3K5 (0.45) ADORA1RAB9AMEN1KMT2AMAPT
SCHEMBL5833360 0.71 HPGD (0.50) KDM4EADORA1RAB9ANPC1MEN1
SCHEMBL14087963 0.71 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19718960 0.70 ADORA1 (0.48) KDM4EADORA1RAB9ANPC1MEN1
SCHEMBL13489802 0.70 ADORA1 (0.48) KDM4EADORA1RAB9AMEN1KMT2A
SCHEMBL12827054 0.70 NPC1 (0.38) KDM4EADORA1RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KDM4E 1965/4885ADORA1 785/4885RAB9A 3263/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KDM4E 1965/4885ADORA1 785/4885RAB9A 3263/4885

“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.