SCHEMBL4582663

SCHEMBL4582663

O=C(NC1CCN(c2nncc3ccc(Br)cc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.55
P2RX7 Q99572 1/20 0.50
DRD4 P21917 6/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
MAPK14 Q16539 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK9 P45984 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4582833 0.93 PAK1 (0.55) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4583396 0.89 PAK1 (0.60) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4582855 0.84 PAK1 (0.53) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4583219 0.84 PAK1 (0.53) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4582578 0.82 PKM (0.49) KMT2AMEN1ALDH1A1LMNA
SCHEMBL4015405 0.81 PAK1 (0.58) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4582918 0.80 ALDH1A1 (0.51) PAK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4582923 0.80 KMT2A (0.39) PAK1DRD4KMT2AMEN1MAPK14
SCHEMBL4020785 0.79 PAK1 (0.66) PAK1P2RX7DRD4KMT2AMEN1
SCHEMBL4582332 0.77 MAPK14 (0.38) PAK1DRD4KMT2AMEN1MAPK14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US claimed
EP-1900731-A1 N-(1-Phthalazin-1-yl-piperidin-4-yl)-amides as EP2-receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-19 EP claimed
WO-2008028689-A1 N-(1-PHTHALAZIN-1-YLPIPERIDIN-4-YL)AMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US disclosed
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US disclosed
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US disclosed
EP-1900731-A1 N-(1-Phthalazin-1-yl-piperidin-4-yl)-amides as EP2-receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2008028689-A1 N-(1-PHTHALAZIN-1-YLPIPERIDIN-4-YL)AMIDES 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-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 PAK1 1508/4885P2RX7 146/4885DRD4 3870/4885

“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.