SCHEMBL1044262

SCHEMBL1044262

Clc1ccc(Nc2ccc(N3CCN(C4CCC4)CC3)cc2)c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.41
CCND1 P24385 9/20 0.41
CDK6 Q00534 2/20 0.41
FGFR1 P11362 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AURKA O14965 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK1 P06493 5/20 0.38
WEE1 P30291 2/20 0.38
INSR P06213 1/20 0.38
PDGFRB P09619 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CDK7 P50613 1/20 0.38
NTRK2 Q16620 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1047103 0.97 CDK4 (0.42) CDK4CCND1CDK6FGFR1AURKA
SCHEMBL1044806 0.96 WEE1 (0.41) CDK4CCND1CDK6FGFR1AURKA
SCHEMBL1045288 0.83 KDM1A (0.52) CDK6CCND3CDK2CCNA2KDM1A
SCHEMBL1044232 0.83 AURKA (0.49) CDK6AURKACCND3CDK2CCNA2
SCHEMBL1048036 0.81 CDK9 (0.51) CDK6FGFR1AURKAWEE1PDGFRB
SCHEMBL1047015 0.80 MAPKAPK5 (0.57) CDK4CCND1CDK6FGFR1HRH3
SCHEMBL1045300 0.79 KDM1A (0.43) CDK6FGFR1CCND3CDK2CCNA2
SCHEMBL1046040 0.79 HRH3 (0.44) CDK4CCND1CDK6HRH3
SCHEMBL1047621 0.78 KDM1A (0.40) CDK6FGFR1AURKAL3MBTL1ALDH1A1
SCHEMBL1046099 0.78 MAPKAPK5 (0.58) CDK4CCND1CDK6FGFR1HRH3

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 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.