SCHEMBL4943734

SCHEMBL4943734

CC1(C)C(=O)Nc2cc3[nH]c(-c4n[nH]c5c4CCC5)nc3cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.57
AURKB Q96GD4 4/20 0.57
PDE3B Q13370 3/20 0.50
PDE3A Q14432 3/20 0.50
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
ITK Q08881 8/20 0.35
IL2 P60568 1/20 0.34

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
SCHEMBL4893772 0.98 AURKA (0.55) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL4948528 0.81 AURKA (0.44) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL5952714 0.81 MAPT (0.49) MAPTHPGDLMNAMAPK10ALDH1A1
SCHEMBL4946028 0.79 AURKA (0.61) AURKAAURKBITKIL2
SCHEMBL4948278 0.79 AURKA (0.42) AURKAAURKBITKIL2
SCHEMBL5952112 0.78 MAPT (0.46) MAPTHPGDLMNAMAPK10ALDH1A1
SCHEMBL10567386 0.78 AURKA (0.91) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL5192052 0.78 AURKA (0.55) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL4948569 0.77 AURKA (0.52) AURKAAURKBITKIL2
SCHEMBL5952998 0.77 MAPT (0.44) MAPTHPGDLMNAMAPK10ALDH1A1

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 6 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 claimed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US claimed
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 1207/4885AURKB 1249/4885PDE3B 580/4885

“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.