SCHEMBL1045288

SCHEMBL1045288

CN1CCN(c2ccc(Nc3ccc(Cl)n4ncnc34)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
CCNK O75909 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCND3 P30281 2/20 0.48
CDK9 P50750 2/20 0.48
CDK6 Q00534 2/20 0.48
ALK Q9UM73 2/20 0.47
ADRA2A P08913 3/20 0.47
ADRA2C P18825 3/20 0.47
ADRA2B P18089 2/20 0.47
MAPKAPK5 Q8IW41 1/20 0.47
MAPKAPK2 P49137 2/20 0.46
BRD4 O60885 2/20 0.45
FLT3 P36888 1/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
EGFR P00533 2/20 0.43

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
SCHEMBL1044232 0.88 AURKA (0.49) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL1045300 0.88 KDM1A (0.43) KDM1ARAD52GFERCCNKCCNA2
SCHEMBL1048036 0.87 CDK9 (0.51) KDM1ARAD52GFERCCNKCCNA2
SCHEMBL1044806 0.85 WEE1 (0.41) KDM1ACCND3CDK6MAPKAPK5EGFR
SCHEMBL1083254 0.85 CCND3 (0.42) KDM1ARAD52GFERCCNKCCNA2
SCHEMBL1047621 0.85 KDM1A (0.40) KDM1ARAD52GFERCCNKCCNA2
SCHEMBL1044262 0.83 CDK4 (0.41) KDM1ACCNA2CDK2CCND3CDK6
SCHEMBL1047103 0.82 CDK4 (0.42) CCNA2CDK2CCND3CDK6ALK
SCHEMBL1685146 0.79 RAD52 (0.52) RAD52GFERCCNKCCNA2CDK2
SCHEMBL1042556 0.78 MAPKAPK5 (0.61) KDM1ARAD52GFERALKADRA2A

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 5 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
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 KDM1A 2801/4885RAD52 3817/4885GFER 4041/4885

“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.