SCHEMBL4888424

SCHEMBL4888424

CC1(C)C(=O)Nc2cc3[nH]c(-c4n[nH]c5ccc(C(=O)Nc6ccccc6)cc45)nc3cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.53
PDPK1 O15530 1/20 0.50
CDK1 P06493 1/20 0.50
PAK4 O96013 1/20 0.49
CDK2 P24941 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 3/20 0.47

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
SCHEMBL4892869 0.93 CHEK1 (0.62) CHEK1CDK1KDR
SCHEMBL4931239 0.88 MAPK3 (0.54) CHEK1PAK4CDK2FLT3
SCHEMBL5188932 0.88 PDE4A (0.50) PAK4CDK2FLT3
SCHEMBL4893662 0.86 FLT3 (0.52) PAK4CDK2FLT3
SCHEMBL4884451 0.82 CHEK1 (0.49) CHEK1PDPK1CDK1PAK4CDK2
SCHEMBL5192052 0.81 AURKA (0.55) CHEK1PDPK1CDK1PAK4CDK2
SCHEMBL4896307 0.81 CHEK1 (0.52) CHEK1CDK1KDRFLT3
SCHEMBL5189495 0.80 AURKA (0.49) CHEK1CDK1CDK2KDR
SCHEMBL5188939 0.79 CHEK1 (0.48) CHEK1CDK1CDK2FLT3
SCHEMBL4915031 0.79 CHEK1 (0.70) CHEK1PDPK1CDK1JAK2JAK1

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
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
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 CHEK1 531/4885PDPK1 2511/4885CDK1 199/4885

“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.