SCHEMBL4583078

SCHEMBL4583078

COc1ccc2c(N3CCC(NC(=O)c4cccc(Cl)c4Cl)CC3)ccnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
AURKA O14965 5/20 0.56
MET P08581 5/20 0.56
TEK Q02763 5/20 0.56
PAK1 Q13153 1/20 0.50
P2RX7 Q99572 1/20 0.49
LCK P06239 3/20 0.49
AURKB Q96GD4 2/20 0.49
ABL1 P00519 1/20 0.49
LYN P07948 1/20 0.49
FGR P09769 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL4021559 0.95 KDR (0.51) KDRAURKAMETTEKPAK1
SCHEMBL4021229 0.93 KDR (0.49) KDRAURKAMETTEKPAK1
SCHEMBL4018523 0.88 ALDH1A1 (0.59) PAK1P2RX7MEN1KMT2AKDM4E
SCHEMBL4016414 0.87 PAK1 (0.63) KDRAURKAMETTEKPAK1
SCHEMBL4023212 0.86 PAK1 (0.52) PAK1P2RX7MEN1KMT2AKDM4E
SCHEMBL4024415 0.86 PAK1 (0.52) PAK1P2RX7MEN1KMT2AKDM4E
SCHEMBL4024040 0.85 PAK1 (0.47) KDRAURKAMETTEKPAK1
SCHEMBL4024515 0.85 PAK1 (0.56) KDRAURKAMETTEKPAK1
SCHEMBL4024845 0.85 DRD2 (0.61) PAK1P2RX7MEN1KMT2AHTR1A
SCHEMBL4017912 0.85 PAK1 (0.46) KDRAURKAMETTEKPAK1

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
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US 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
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 KDR 975/4885AURKA 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.