SCHEMBL5192052

SCHEMBL5192052

CC1(C)C(=O)Nc2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.55
AURKB Q96GD4 4/20 0.55
FGFR1 P11362 9/20 0.54
FLT1 P17948 9/20 0.54
ITK Q08881 2/20 0.53
PDPK1 O15530 3/20 0.53
CHEK1 O14757 3/20 0.53
CDK2 P24941 3/20 0.53
JAK2 O60674 2/20 0.53
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
ABL1 P00519 2/20 0.53
PLK4 O00444 1/20 0.53
CHUK O15111 1/20 0.53
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
NTRK1 P04629 1/20 0.53
PRKCG P05129 1/20 0.53

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
SCHEMBL5189495 0.83 AURKA (0.49) AURKAAURKBITKCHEK1CDK2
SCHEMBL5188932 0.83 PDE4A (0.50) AURKAAURKBCDK2PAK4FLT3
SCHEMBL4888424 0.81 CHEK1 (0.53) PDPK1CHEK1CDK2JAK2PAK4
SCHEMBL4892869 0.81 CHEK1 (0.62) CHEK1CDK1KDR
SCHEMBL4896307 0.81 CHEK1 (0.52) ITKCHEK1CDK1KDRFLT3
SCHEMBL4931239 0.81 MAPK3 (0.54) ITKCHEK1CDK2PAK4FLT3
SCHEMBL10557813 0.80 PDE4A (0.53) AURKAAURKBFGFR1CDK2ABL1
SCHEMBL10375588 0.80 PDE4A (0.71) AURKAAURKBCHEK2PDE4APDE4B
SCHEMBL4888954 0.80 FGFR1 (0.51) AURKAAURKBFGFR1FLT1ITK
SCHEMBL4885470 0.80 FGFR1 (0.51) AURKAAURKBFGFR1FLT1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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 AURKA 2529/4885AURKB 2155/4885FGFR1 2228/4885

“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.