SCHEMBL3873028

SCHEMBL3873028

CCOC(=O)c1cn2c(C)nnc2cc1Nc1ccc(I)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.52
MAP2K2 P36507 2/20 0.52
IDO1 P14902 2/20 0.46
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SYK P43405 2/20 0.35
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
CDC25B P30305 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6317554 0.90 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL3880754 0.86 IDO1 (0.56) MAP2K1MAP2K2IDO1MEN1KMT2A
SCHEMBL3874114 0.78 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL3874109 0.78 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL6318708 0.74 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL3873690 0.74 TP53 (0.49) MAP2K1MAP2K2IDO1KDM4EMAPT
SCHEMBL6323301 0.73 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL3877145 0.73 MEN1 (0.42) MAP2K1MAP2K2IDO1KDM4EMAPT
SCHEMBL3883164 0.72 IDO1 (0.47) MAP2K1MAP2K2IDO1MAPTALDH1A1
SCHEMBL14342037 0.72 MAP2K1 (0.67) MAP2K1MAP2K2

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

“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.