SCHEMBL4900368

SCHEMBL4900368

CC1(C)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
CHEK1 O14757 5/20 0.43
PDPK1 O15530 5/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CDK1 P06493 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ITK Q08881 1/20 0.41
THRB P10828 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
SCHEMBL4894368 0.94 TP53 (0.45) TP53MAPTLMNACHEK1PDPK1
SCHEMBL4888758 0.92 ITGB3 (0.42) CHEK1PDPK1CDK1AURKAAURKB
SCHEMBL5189501 0.89 ITK (0.45) TP53MAPTCHEK1PDPK1CDK1
SCHEMBL4889015 0.86 AURKA (0.43) CHEK1PDPK1CDK1AURKAAURKB
SCHEMBL5954096 0.86 ITGB3 (0.44) CHEK1PDPK1MEN1KMT2ACDK1
SCHEMBL4896780 0.86 ITK (0.47) CHEK1PDPK1CDK1AURKAAURKB
SCHEMBL4880110 0.85 ITK (0.46) CHEK1PDPK1CDK1AURKAAURKB
SCHEMBL4891211 0.84 ITK (0.45) CHEK1PDPK1CDK1AURKAAURKB
SCHEMBL4130802 0.84 AURKA (0.61) TP53MAPTLMNAMEN1KMT2A
SCHEMBL4889880 0.84 AURKA (0.41) LMNACHEK1PDPK1CDK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN disclosed
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 TP53 172/4885MAPT 4241/4885LMNA 638/4885

“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.