SCHEMBL3300004

SCHEMBL3300004

Cc1nnc2cc([N+](=O)[O-])ccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
ACHE P22303 2/20 0.41
DNMT1 P26358 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL24706773 0.80 HTT (0.41) ALDH1A1TSHRTDP1POLBRXFP1
SCHEMBL22151058 0.80 DNMT1 (0.47) ALDH1A1TSHRTDP1DNMT1CYP3A4
SCHEMBL12510329 0.75 ALDH1A1 (0.51) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL11385077 0.71 KEAP1 (0.52) ALDH1A1TDP1ATMRAB9ASMN1; SMN2
SCHEMBL20605392 0.70 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CYP3A4POLB
SCHEMBL11160684 0.70 ALDH1A1 (0.46) ALDH1A1ACHEPOLBRXFP1L3MBTL1
SCHEMBL3302959 0.69 DNMT1 (0.42) ALDH1A1DNMT1LMNARAB9ASMN1; SMN2
SCHEMBL15800777 0.69 CYP11B1 (0.43) ALDH1A1ACHEDNMT1LMNAHSD17B10
SCHEMBL24121934 0.69 DNMT1 (0.42) ALDH1A1DNMT1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL22123582 0.68 DNMT1 (0.41) ALDH1A1DNMT1LMNARAB9ASMN1; SMN2

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 4 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
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885TSHR 2776/4885TDP1 491/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885TSHR 2776/4885TDP1 491/4885

“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.