SCHEMBL4949121

SCHEMBL4949121

CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(C(=O)O)c2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.62
FLT3 P36888 1/20 0.57
LIMK1 P53667 1/20 0.57
LIMK2 P53671 1/20 0.57
AURKB Q96GD4 1/20 0.57
AURKC Q9UQB9 1/20 0.57
CCNA2 P20248 9/20 0.46
CDK2 P24941 9/20 0.46
CCNA1 P78396 9/20 0.46
RBP4 P02753 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HCAR2 Q8TDS4 3/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL4726426 0.90 AURKA (0.61) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL4946521 0.87 AURKA (0.58) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL4726438 0.85 AURKA (0.63) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL4949129 0.76 CCNA2 (0.39) AURKAFLT3LIMK1LIMK2AURKB
Pha-680632 SCHEMBL12582821 0.73 AURKA (1.00) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL13446065 0.69 AURKA (0.91) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL4948576 0.68 AURKA (0.37) AURKAFLT3LIMK1LIMK2AURKB
SCHEMBL4948556 0.68 POLB (0.67) ALDH1A1
SCHEMBL17868611 0.68 NPC1 (0.56) LIMK1LIMK2KDM4EALDH1A1BRD4
SCHEMBL4943590 0.67 AURKA (0.58) AURKAKDM4EALDH1A1HCAR2

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
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 AURKA 1207/4885FLT3 397/4885LIMK1 4708/4885

“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.