SCHEMBL4016414

SCHEMBL4016414

COc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ncnc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.63
AURKA O14965 2/20 0.49
MET P08581 2/20 0.49
KDR P35968 2/20 0.49
TEK Q02763 2/20 0.49
PDGFRB P09619 1/20 0.49
P2RX7 Q99572 1/20 0.48
MTNR1B P49286 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
AURKB Q96GD4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP1 P22413 1/20 0.44
KIT P10721 2/20 0.44
DRD4 P21917 1/20 0.44
HPGDS O60760 1/20 0.44
SUV39H1 O43463 1/20 0.43
PRMT1 Q99873 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL4018034 0.95 PAK1 (0.57) PAK1AURKAMETKDRTEK
SCHEMBL4024568 0.88 PAK1 (0.68) PAK1PDGFRBP2RX7MALT1MEN1
SCHEMBL4583078 0.87 KDR (0.56) PAK1AURKAMETKDRTEK
SCHEMBL4020785 0.86 PAK1 (0.66) PAK1P2RX7MALT1MEN1KMT2A
SCHEMBL4025750 0.86 PAK1 (0.66) PAK1P2RX7MEN1KMT2ASUV39H1
SCHEMBL4024515 0.86 PAK1 (0.56) PAK1AURKAMETKDRTEK
SCHEMBL4019812 0.86 PAK1 (0.58) PAK1AURKAMETKDRTEK
SCHEMBL4024042 0.85 PAK1 (0.71) PAK1P2RX7MALT1MEN1KMT2A
SCHEMBL4024051 0.85 PAK1 (0.57) PAK1AURKAMETKDRTEK
SCHEMBL4016410 0.85 PAK1 (0.64) PAK1PDGFRBP2RX7MALT1MEN1

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-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators 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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 PAK1 1977/4885AURKA 4835/4885MET 948/4885

“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.