SCHEMBL4582547

SCHEMBL4582547

COc1cccc(NC(=S)NC2CCN(c3nncc4cc(Br)ccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.41
CDK1 P06493 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
BRAF P15056 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
JAK1 P23458 1/20 0.41
CDK2 P24941 1/20 0.41
AXL P30530 1/20 0.41
CDK5 Q00535 1/20 0.41
PTK2B Q14289 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4584112 0.93 MAPT (0.44) MAPTALDH1A1MAPK1TDP1NPSR1
SCHEMBL4725020 0.93 MAPT (0.44) MAPTALDH1A1MAPK1TDP1RAB9A
SCHEMBL4583945 0.91 EGFR (0.46) RAB9A
SCHEMBL4584119 0.90 MAPK14 (0.44) LMNARAB9AKMT2A
SCHEMBL4583648 0.88 MAPK14 (0.46) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL4582502 0.88 KMT2A (0.48) MAPTALDH1A1MAPK1LMNARAB9A
SCHEMBL4582433 0.87 MAPK14 (0.41) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL4582586 0.87 KMT2A (0.50) MAPTALDH1A1MAPK1LMNAKMT2A
SCHEMBL4779982 0.86 ALDH1A1 (0.44) MAPTALDH1A1MAPK1TDP1RAB9A
SCHEMBL4727782 0.86 RAB9A (0.43) MAPTALDH1A1MAPK1TDP1NPSR1

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
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 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 (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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 MAPT 4796/4885ALDH1A1 866/4885MAPK1 2377/4885

“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.