SCHEMBL2472376

SCHEMBL2472376

Cc1onc(-c2ccc(Br)cc2)c1-c1cn(-c2ncccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MAPK14 Q16539 1/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 2/20 0.35
CA12 O43570 1/20 0.35
MT-CO2 P00403 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL2472128 0.89 PTGS2 (0.54) PTGS2PTGS1TDP1L3MBTL1MAPK14
SCHEMBL2472327 0.88 PTGS2 (0.45) PTGS2PTGS1TDP1L3MBTL1POLB
SCHEMBL2471686 0.86 PAX8 (0.40) PTGS2PTGS1NPC1RAB9ATDP1
SCHEMBL2471844 0.83 NPC1 (0.61) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2468988 0.81 PTGS1 (0.41) PTGS2PTGS1MAPK14MAPTBRD4
SCHEMBL2473617 0.81 NPC1 (0.46) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2472679 0.78 BRD4 (0.45) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2468574 0.78 PTGS1 (0.43) PTGS2PTGS1MAPTBRD4LMNA
SCHEMBL2470866 0.77 RAB9A (0.42) NPC1RAB9ANLRP3POLBMAPT
SCHEMBL2473690 0.77 PTGS2 (0.51) PTGS2PTGS1TDP1L3MBTL1MAPK14

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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 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

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 PTGS2 3762/4885PTGS1 2693/4885NPC1 1036/4885

“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.