SCHEMBL2144702

SCHEMBL2144702

O=C(O)NCCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.51
MAPT P10636 7/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KAT2B Q92831 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
PKM P14618 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
PRSS1 P07477 1/20 0.45
PTGER4 P35408 1/20 0.44

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
SCHEMBL2144699 1.00 HCAR3 (0.51) HCAR3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2144381 0.89 KAT2B (0.48) HCAR3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2144387 0.89 KAT2B (0.48) HCAR3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL906299 0.88 RECQL (0.54) HCAR3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL15206115 0.84 APEX1 (0.61) HCAR3MAPTPKMRAB9AMAPK1
SCHEMBL29670495 0.82 ALDH1A1 (0.62) HCAR3MAPTTDP1PKMRAB9A
SCHEMBL420259 0.82 ALDH1A1 (0.62) HCAR3MAPTTDP1PKMRAB9A
SCHEMBL2144713 0.81 HCAR3 (0.45) HCAR3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16423449 0.81 ALDH1A1 (0.60) HCAR3MAPTPKMRAB9AMAPK1
SCHEMBL16423450 0.81 ALDH1A1 (0.60) HCAR3MAPTPKMRAB9AMAPK1

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 HCAR3 924/4885MAPT 1496/4885CYP1A2 654/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 HCAR3 924/4885MAPT 1496/4885CYP1A2 654/4885

“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.