SCHEMBL1044232

SCHEMBL1044232

Clc1ccc(Nc2ccc(N3CCOCC3)cc2)c2ncnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
AURKB Q96GD4 2/20 0.49
MAPKAPK5 Q8IW41 1/20 0.48
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
MAPT P10636 5/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PLK4 O00444 3/20 0.45
SYK P43405 1/20 0.44
SLC2A1 P11166 1/20 0.44
TSHR P16473 1/20 0.44
NR4A1 P22736 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL1045288 0.88 KDM1A (0.52) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1044806 0.85 WEE1 (0.41) AURKAAURKBMAPKAPK5CCND3CDK6
SCHEMBL1048036 0.85 CDK9 (0.51) AURKACCNKCCNA2CDK2CCND3
SCHEMBL2199773 0.84 MAPKAPK5 (0.50) AURKAAURKBMAPKAPK5CCNKCCNA2
SCHEMBL1045300 0.83 KDM1A (0.43) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1044262 0.83 CDK4 (0.41) AURKACCNA2CDK2CCND3CDK6
SCHEMBL1047103 0.82 CDK4 (0.42) AURKACCNA2CDK2CCND3CDK6
SCHEMBL1047621 0.82 KDM1A (0.40) AURKAAURKBMAPKAPK5CCNKCCNA2
SCHEMBL1083254 0.81 CCND3 (0.42) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1685152 0.79 MAPKAPK5 (0.49) AURKAAURKBMAPKAPK5CCNKCCNA2

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 7 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 disclosed
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
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 AURKA 4171/4885AURKB 3904/4885MAPKAPK5 15/4885

“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.