SCHEMBL3878586

SCHEMBL3878586

CCOC(=O)c1cnc(NN)cc1Nc1ccc(Br)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
THRB P10828 1/20 0.53
SIRT5 Q9NXA8 1/20 0.47
MAPK1 P28482 1/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
TP53 P04637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
AURKB Q96GD4 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3883164 0.87 IDO1 (0.47) MAPTGAATHRBJAK2JAK1
SCHEMBL3885107 0.85 SORT1 (0.44) MAPTGAATHRBSIRT5JAK2
SCHEMBL3874547 0.84 MAPT (0.60) MAPTGAATHRBSIRT5MAPK1
SCHEMBL5623989 0.74 MAP2K1 (0.49) MAPTGAATHRBMAPK1TP53
SCHEMBL3973970 0.74 MAPT (0.55) MAPTGAATHRBMAPK1JAK2
SCHEMBL6505308 0.72 MAP2K1 (0.47) MAPTGAATHRBMAPK1JAK2
SCHEMBL3873690 0.71 TP53 (0.49) MAPTGAATHRBJAK2JAK1
SCHEMBL289045 0.70 ALDH1A1 (0.55) MAPTMAPK1NPSR1RXFP1MEN1
SCHEMBL24550741 0.70 TP53 (0.43) GAATHRBMAPK1TP53ALDH1A1
SCHEMBL3971371 0.70 MAPT (0.58) MAPTGAATHRBMAPK1JAK2

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-1828184-B1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES MERCK SERONO SA (CH) 2009-09-16 EP disclosed
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
EP-1828184-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006058752-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2006-06-08 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 (1 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-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases CDK4, CDK3, BRAF MAPT 4321/4885GAA 3574/4885THRB 1002/4885

“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.