SCHEMBL4018440

SCHEMBL4018440

O=C(NC1CCN(c2ncnc3cc(-c4cccs4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.59
P2RX7 Q99572 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 7/20 0.42
DRD4 P21917 7/20 0.42
HTR2A P28223 5/20 0.42
SUV39H1 O43463 1/20 0.41
PRMT1 Q99873 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
DRD3 P35462 1/20 0.40
MAP3K5 Q99683 2/20 0.40
MAP3K6 O95382 1/20 0.40

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
SCHEMBL4020861 0.93 PAK1 (0.53) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4020605 0.88 PAK1 (0.47) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4016410 0.87 PAK1 (0.64) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4021700 0.87 PAK1 (0.53) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4024568 0.85 PAK1 (0.68) PAK1P2RX7MEN1KMT2ASUV39H1
SCHEMBL4020785 0.84 PAK1 (0.66) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4025750 0.84 PAK1 (0.66) PAK1P2RX7MEN1KMT2ASUV39H1
SCHEMBL4018118 0.83 PAK1 (0.49) PAK1P2RX7MEN1KMT2ADRD2
SCHEMBL4581785 0.83 PAK1 (0.63) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019812 0.83 PAK1 (0.58) PAK1P2RX7MEN1KMT2ASUV39H1

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 1977/4885P2RX7 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.