SCHEMBL1047103

SCHEMBL1047103

Clc1ccc(Nc2ccc(N3CCN(C4CCCCC4)CC3)cc2)c2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.42
CCND1 P24385 8/20 0.42
CDK6 Q00534 2/20 0.42
AURKA O14965 4/20 0.42
CDK1 P06493 4/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
CDK7 P50613 1/20 0.41
NTRK2 Q16620 1/20 0.41
CDK2 P24941 6/20 0.40
CCNE2 O96020 5/20 0.40
CCNE1 P24864 5/20 0.40
CCNA2 P20248 5/20 0.40
CCND2 P30279 5/20 0.40
CCND3 P30281 5/20 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
SCHEMBL1044262 0.97 CDK4 (0.41) CDK4CCND1CDK6AURKACDK1
SCHEMBL1044806 0.95 WEE1 (0.41) CDK4CCND1CDK6AURKACCND2
SCHEMBL1045288 0.82 KDM1A (0.52) CDK6CDK2CCNA2CCND3EGFR
SCHEMBL1044232 0.82 AURKA (0.49) CDK6AURKACDK2CCNA2CCND3
SCHEMBL1048036 0.80 CDK9 (0.51) CDK6AURKAKDRPDGFRBPDGFRA
SCHEMBL1046083 0.79 MAPKAPK5 (0.44) CDK4CCND1CDK6NTRK2JAK2
SCHEMBL1048035 0.78 MAPKAPK5 (0.57) CDK4CCND1CDK6CDK1CDK2
SCHEMBL1045300 0.78 KDM1A (0.43) CDK6CDK2CCNA2CCND3FGFR1
SCHEMBL1046311 0.78 ACVR1 (0.42) CDK4CCND1CDK6KDRFGFR1
SCHEMBL1399882 0.78 HRH3 (0.42) CDK4CCND1CDK6NTRK2JAK2

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 CDK4 606/4885CCND1 1876/4885CDK6 740/4885

“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.