SCHEMBL6069803

SCHEMBL6069803

Cc1ccnc(C=Cc2nn(C3CCCCO3)c3cccc(Nc4ccccc4C(=O)O)c23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
CDC7 O00311 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PTGS2 P35354 2/20 0.33
AKR1C3 P42330 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
PIM1 P11309 1/20 0.33
GSK3B P49841 1/20 0.33
USP2 O75604 1/20 0.33
MT-CO2 P00403 1/20 0.33
TTR P02766 1/20 0.33
PLA2G1B P04054 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL6070080 0.92 KDM4E (0.38) MEN1KMT2AHPGDATRRET
SCHEMBL5205099 0.86 KDR (0.38) MAPK8AURKAAURKBCDC7PIM1
SCHEMBL6069989 0.81 RET (0.40) ATRRETCYP4F2CYP4A11
SCHEMBL5208752 0.79 KDM4E (0.39) AURKAKMT2AMAPTHPGDATR
SCHEMBL6069994 0.78 RET (0.35) MEN1LMNAKMT2AMAPTHPGD
SCHEMBL5207371 0.77 KDR (0.39) LMNAATRDGAT2
SCHEMBL14527935 0.76 KDR (0.43) AURKAAURKBRETDGAT2
SCHEMBL5209155 0.76 KDR (0.53) PTGS2DGAT2
SCHEMBL5209198 0.76 DGAT2 (0.34) MAPK8AURKAAURKBPIM1GSK3B
SCHEMBL5210223 0.75 KDR (0.45) PTGS2DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 MAPK8 257/4885AURKA 434/4885AURKB 397/4885

“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.