SCHEMBL2146201

SCHEMBL2146201

Nc1ccc(Br)cc1NCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
APEX1 P27695 1/20 0.43
HDAC1 Q13547 2/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
HDAC2 Q92769 1/20 0.40
AAK1 Q2M2I8 2/20 0.37
HDAC3 O15379 1/20 0.37
PLAU P00749 1/20 0.36
GAA P10253 2/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTGER4 P35408 1/20 0.35
HDAC4 P56524 1/20 0.34
PRSS1 P07477 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
SCHEMBL2145634 0.88 APEX1 (0.47) KDM4EGLAAPEX1HDAC1MAPT
SCHEMBL906460 0.86 HDAC1 (0.50) KDM4EGLAAPEX1HDAC1MAPT
SCHEMBL20612108 0.83 APEX1 (0.63) KDM4EGLAAPEX1HDAC1MAPT
SCHEMBL1182685 0.79 AAK1 (0.55) HDAC1AAK1CDK2
SCHEMBL4948558 0.79 HSD17B10 (0.39) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL418892 0.78 MAPT (0.44) KDM4EGLAAPEX1HDAC1MAPT
SCHEMBL30461744 0.78 MAPT (0.44) KDM4EGLAAPEX1HDAC1MAPT
SCHEMBL16585537 0.78 HTT (0.49) KDM4EAPEX1MAPTALDH1A1NPC1
SCHEMBL23705557 0.77 HTT (0.47) KDM4EGLAHDAC1MAPTPOLB
SCHEMBL2973683 0.77 HDAC3 (0.47) KDM4EHDAC1MAPTHDAC2HDAC3

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
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
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 1965/4885GLA 4243/4885APEX1 2354/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KDM4E 1965/4885GLA 4243/4885APEX1 2354/4885

“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.