SCHEMBL1044940

SCHEMBL1044940

c1nc2c(Nc3ccc(N4CCOCC4)cc3)ccc(-c3ccc4cc[nH]c4c3)n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
MAPKAPK5 Q8IW41 4/20 0.48
SYK P43405 8/20 0.47
BTK Q06187 5/20 0.47
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
NTRK1 P04629 1/20 0.43
ROS1 P08922 1/20 0.43
CSNK2A2 P19784 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PTK6 Q13882 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
MAP3K11 Q16584 1/20 0.41
ZAP70 P43403 2/20 0.41
INSR P06213 1/20 0.40

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
SCHEMBL1043468 0.94 JAK2 (0.59) JAK2MAPKAPK5SYKBTKTTBK1
SCHEMBL1070077 0.88 MAPKAPK5 (0.47) JAK2MAPKAPK5SYKBTKPIK3CA
SCHEMBL12618585 0.84 MAPKAPK5 (0.56) JAK2MAPKAPK5SYKBTKNTRK1
SCHEMBL1047576 0.82 JAK2 (0.47) JAK2MAPKAPK5SYKPIK3CAMTOR
SCHEMBL1045264 0.80 TTBK1 (0.48) JAK2MAPKAPK5TTBK1TTBK2PIK3CA
SCHEMBL25245733 0.79 BTK (0.58) JAK2MAPKAPK5SYKBTKTTBK1
SCHEMBL1046703 0.79 MAPKAPK5 (0.75) JAK2MAPKAPK5SYKBTKTTBK1
SCHEMBL1047036 0.78 MAPKAPK5 (0.62) MAPKAPK5TTBK1TTBK2FLT3
SCHEMBL1046290 0.78 MAPK9 (0.49) JAK2MAPKAPK5BTKINSRMAPK10
SCHEMBL12618578 0.78 JAK2 (0.61) JAK2MAPKAPK5SYKBTKNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US claimed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP claimed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US claimed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO claimed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 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 (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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 JAK2 1392/4885MAPKAPK5 15/4885SYK 1451/4885

“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.