SCHEMBL2470747

SCHEMBL2470747

Cc1onc(-c2ccc(F)c(F)c2)c1-c1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
BRD4 O60885 2/20 0.40
PTGS2 P35354 5/20 0.39
PTGS1 P23219 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C2 P08235 1/20 0.38
GABRA5 P31644 2/20 0.37
MAPT P10636 1/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2471849 0.85 PTGS2 (0.51) BRD4PTGS2PTGS1POLBTDP1
SCHEMBL2472639 0.84 PTGS2 (0.44) BRD4PTGS2PTGS1NR3C2GABRA5
SCHEMBL2471619 0.83 PTGS2 (0.43) PTGS2PTGS1POLBTDP1L3MBTL1
SCHEMBL2471848 0.80 PTGS2 (0.61) BRD4PTGS2PTGS1TDP1L3MBTL1
SCHEMBL2470865 0.79 PTGS1 (0.44) BRD4PTGS2PTGS1TDP1L3MBTL1
SCHEMBL2468922 0.78 PTGS1 (0.47) PTGS2PTGS1TDP1L3MBTL1GABRA5
SCHEMBL4970453 0.76 POLB (0.39) PAX8BRD4PTGS2PTGS1POLB
SCHEMBL2471686 0.72 PAX8 (0.40) PAX8BRD4PTGS2PTGS1POLB
SCHEMBL6171538 0.70 PTGS2 (0.74) PAX8PTGS2PTGS1
SCHEMBL6731919 0.70 PTGS2 (0.55) PAX8PTGS2PTGS1L3MBTL1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 PAX8 4088/4885BRD4 677/4885PTGS2 3762/4885

“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.