SCHEMBL1889444

SCHEMBL1889444

CCOCn1ccc(O)c(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
BACE1 P56817 1/20 0.42
MAPK1 P28482 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
KDR P35968 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ABL1 P00519 2/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR2 O95136 1/20 0.41
MAPT P10636 1/20 0.41
RPS6KA2 Q15349 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2191224 0.93 HTT (0.41) MAPK1ADORA3PTGS1KDRRXFP1
SCHEMBL12417667 0.87 LMNA (0.54) LMNAHTTNPSR1S1PR2MAPT
SCHEMBL1884510 0.83 IRAK4 (0.48) IRAK4BACE1MAPK1ADORA3PTGS1
SCHEMBL1890973 0.77 IRAK4 (0.48) IRAK4BACE1MAPK1ADORA3PTGS1
SCHEMBL1884504 0.76 RAB9A (0.45) IRAK4BACE1MAPK1ADORA3PTGS1
SCHEMBL1887372 0.76 HTT (0.61) LMNAHTTNPSR1S1PR2MAPT
SCHEMBL12417609 0.72 PLK1 (0.35) NPSR1KDM4ETSHR
SCHEMBL14624927 0.72 CA12 (0.34) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL1890971 0.69 RAB9A (0.47) IRAK4BACE1ABL1LMNAHTT
SCHEMBL1892848 0.69 RAB9A (0.58) LMNAHTTNPSR1S1PR2MAPT

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-1887002-B1 CARBOXAMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-08-26 EP disclosed
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
EP-1887002-A1 CARBOXAMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-02-13 EP 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 (2 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-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 IRAK4 2187/4885BACE1 2413/4885MAPK1 2789/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 IRAK4 2187/4885BACE1 2413/4885MAPK1 2789/4885

“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.