SCHEMBL4016410

SCHEMBL4016410

O=C(NC1CCN(c2ncnc3cc(-c4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.64
P2RX7 Q99572 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MALT1 Q9UDY8 1/20 0.44
SUV39H1 O43463 1/20 0.44
PRMT1 Q99873 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CYP2D6 P10635 1/20 0.41
HTR1A P08908 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
SCHEMBL4016127 0.92 PAK1 (0.55) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4019812 0.90 PAK1 (0.58) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4024051 0.89 PAK1 (0.57) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4024568 0.89 PAK1 (0.68) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4024042 0.88 PAK1 (0.71) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4018498 0.88 PAK1 (0.62) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4020785 0.87 PAK1 (0.66) PAK1P2RX7MEN1KMT2AMALT1
SCHEMBL4025750 0.87 PAK1 (0.66) PAK1P2RX7MEN1KMT2ASUV39H1
SCHEMBL4018440 0.87 PAK1 (0.59) PAK1P2RX7MEN1KMT2ASUV39H1
SCHEMBL4583323 0.87 PAK1 (0.61) PAK1P2RX7MEN1KMT2AMALT1

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 1977/4885P2RX7 193/4885MEN1 4250/4885

“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.