SCHEMBL4947140

SCHEMBL4947140

CCOC(=O)c1n[nH]c2c1CNC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
PDE4D Q08499 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CYP1A2 P05177 1/20 0.36
RBP4 P02753 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ADORA1 P30542 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
HSD17B1 P14061 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
SCHEMBL8248859 0.87 ADORA1 (0.44) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL29751746 0.87 ADORA1 (0.47) KDM4EPOLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL31699769 0.85 ADORA1 (0.45) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL5951775 0.78 KMT2A (0.58) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL5079536 0.78 HCAR2 (0.58) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL4948518 0.77 HCAR2 (0.59) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL1149314 0.77 TSHR (0.59) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL23564868 0.76 HCAR2 (0.46) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL1149808 0.76 HCAR2 (0.46) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL21995909 0.76 POLB (0.46) KDM4EPOLBMAPTMEN1KMT2A

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 2267/4885MAPT 2894/4885

“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.