SCHEMBL4946526

SCHEMBL4946526

CCOC(=O)c1n[nH]c2c1CN(C(=O)N(CC)c1ccccc1CC)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 4/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 2/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 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
SCHEMBL4949129 0.88 CCNA2 (0.39) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL4946521 0.78 AURKA (0.58) KDM4EPOLBCCNA2CDK2CCNA1
SCHEMBL4948572 0.72 ELANE (0.44) KDM4EPOLBCCNA2CDK2CCNA1
SCHEMBL4944611 0.71 KDM4E (0.47) KDM4EPOLBLMNAHPGDTSHR
SCHEMBL4950822 0.71 AURKA (0.55) KDM4EPOLBLMNAHTTHPGD
SCHEMBL17870553 0.69 CREBBP (0.53) KDM4EPOLBGAAL3MBTL1MAPT
SCHEMBL13373961 0.68 CREBBP (0.53) BRD4CREBBP
SCHEMBL18587623 0.68 RBP4 (0.39) KDM4EPOLBCCNA2CDK2CCNA1
SCHEMBL4949034 0.67 MEN1 (0.53) KDM4ELMNAHTTHPGDMAPT
SCHEMBL22395074 0.66 HRH4 (0.53) KDM4EPOLBHTTMAPTALDH1A1

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 KDM4E 2305/4885POLB 2267/4885CCNA2 990/4885

“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.