SCHEMBL3883164

SCHEMBL3883164

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
MAP2K1 Q02750 3/20 0.46
MAP2K2 P36507 1/20 0.46
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
TYK2 P29597 5/20 0.44
JAK3 P52333 5/20 0.44
TP53 P04637 2/20 0.43
SYK P43405 2/20 0.43
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL3878586 0.87 MAPT (0.53) JAK2JAK1TYK2JAK3TP53
SCHEMBL3880926 0.85 IDO1 (0.58) IDO1MAP2K1MAP2K2JAK2JAK1
SCHEMBL3873690 0.84 TP53 (0.49) IDO1MAP2K1MAP2K2JAK2JAK1
SCHEMBL6318631 0.76 MAP2K1 (0.56) MAP2K1MAP2K2JAK1TYK2MEN1
SCHEMBL6317553 0.76 MAP2K1 (0.61) MAP2K1MAP2K2SYK
SCHEMBL5622895 0.74 MAP2K1 (0.61) MAP2K1MAP2K2SYK
SCHEMBL3873028 0.72 MAP2K1 (0.52) IDO1MAP2K1MAP2K2TP53SYK
SCHEMBL6324607 0.72 MAP2K1 (0.52) MAP2K1MAP2K2TP53MAPTGAA
SCHEMBL3885107 0.71 SORT1 (0.44) IDO1JAK2JAK1TYK2MAPT
SCHEMBL3874547 0.71 MAPT (0.60) JAK2JAK1TYK2JAK3TP53

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 IDO1 1077/4885MAP2K1 114/4885MAP2K2 117/4885

“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.