SCHEMBL4892860

SCHEMBL4892860

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5cc(C(=O)NCc6ccccc6)ccc45)[nH]c3cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.49
ITK Q08881 1/20 0.49
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
CDK1 P06493 1/20 0.44
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
IMPDH2 P12268 1/20 0.42
KDR P35968 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL4897392 0.94 MAPK3 (0.51) ITKAURKAAURKBMAPK3MAPK1
SCHEMBL4893574 0.91 AURKA (0.51) CHEK1AURKAAURKBCDK1FLT3
SCHEMBL4912209 0.90 CHEK1 (0.57) CHEK1AURKAAURKBCDK1KDR
SCHEMBL4500435 0.88 AURKA (0.54) CHEK1AURKAAURKBCDK1KDR
SCHEMBL4892132 0.86 MAPK1 (0.55) AURKAAURKBMAPK3MAPK1FLT3
SCHEMBL4889244 0.86 CHEK1 (0.55) CHEK1AURKAAURKBCDK1KDR
SCHEMBL5194410 0.85 AURKA (0.51) AURKAAURKBFLT3
SCHEMBL4914751 0.84 AURKA (0.59) CHEK1ITKAURKAAURKBCDK1
SCHEMBL4896307 0.84 CHEK1 (0.52) CHEK1ITKCDK1MAPK3MAPK1
SCHEMBL4884451 0.84 CHEK1 (0.49) CHEK1AURKAAURKBCDK1KDR

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
JP-2008524151-A 2008-07-10 JP claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 CHEK1 531/4885ITK 1964/4885AURKA 2529/4885

“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.