SCHEMBL2144136

SCHEMBL2144136

Cc1cc(Br)cc(N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NSD2 O96028 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL30100908 1.00 TSHR (0.41) TSHRALDH1A1MAPK1ALOX15HSD17B10
Fluoride SCHEMBL27554249 0.98 TSHR (0.39) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL21201333 0.84 ALDH1A1 (0.42) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL5642382 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL43548 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPK1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL2855511 0.78 TSHR (0.48) TSHRALDH1A1MAPK1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL10936424 0.76 TSHR (0.46) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL249769 0.74
SCHEMBL156099 0.74
Hydrochloric Acid SCHEMBL10936428 0.74 TSHR (0.44) TSHRALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239823-A1 PHOSPHINATE ESTER-CONTAINING DYES HAVING TUNABLE PROPERTIES AND METHODS OF MAKING THE SAME NUTECH VENTURES 2024-07-18 US disclosed
US-20240239823-A1 PHOSPHINATE ESTER-CONTAINING DYES HAVING TUNABLE PROPERTIES AND METHODS OF MAKING THE SAME NUTECH VENTURES 2024-07-18 US disclosed
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 (3 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-20240239823-A1 PHOSPHINATE ESTER-CONTAINING DYES HAVING TUNABLE PROPERTIES AND METHODS OF MAKING THE SAME PPOX, PNPO, PHOSPHO1 TSHR 1870/4885ALDH1A1 2681/4885MAPK1 4627/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TSHR 2776/4885ALDH1A1 1694/4885MAPK1 75/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TSHR 2776/4885ALDH1A1 1694/4885MAPK1 75/4885

“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.