SCHEMBL4019812

SCHEMBL4019812

COC(=O)c1ccc(-c2ccc3c(N4CCC(NC(=O)c5cccc(Cl)c5Cl)CC4)ncnc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 9/20 0.58
MALT1 Q9UDY8 1/20 0.44
P2RX7 Q99572 1/20 0.44
SUV39H1 O43463 2/20 0.44
PRMT1 Q99873 2/20 0.44
SMYD3 Q9H7B4 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
MELK Q14680 1/20 0.41
MAP3K6 O95382 1/20 0.39
MAP3K5 Q99683 1/20 0.39
AURKA O14965 1/20 0.39
MET P08581 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
SCHEMBL4024051 0.94 PAK1 (0.57) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4023555 0.93 PAK1 (0.52) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4016410 0.90 PAK1 (0.64) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4024040 0.88 PAK1 (0.47) PAK1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL4023506 0.87 PAK1 (0.52) PAK1MALT1P2RX7CYP1A2CYP2C9
SCHEMBL4016414 0.86 PAK1 (0.63) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4024568 0.84 PAK1 (0.68) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4023663 0.83 PAK1 (0.47) PAK1P2RX7MEN1KMT2ACNR1
SCHEMBL4020785 0.83 PAK1 (0.66) PAK1MALT1P2RX7SUV39H1PRMT1
SCHEMBL4025750 0.83 PAK1 (0.66) PAK1P2RX7SUV39H1PRMT1SMYD3

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
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
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
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
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 PAK1 1977/4885MALT1 622/4885P2RX7 193/4885

“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.