SCHEMBL4504445

SCHEMBL4504445

O=[N+]([O-])c1cccc2[nH]c(NCC3CCNCC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
PRKCQ Q04759 6/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CHEK1 O14757 1/20 0.37
HTR6 P50406 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4516401 0.79 PARP1 (0.48) PIM1PDGFRBFGFR1KDRAURKA
SCHEMBL4493806 0.78 ACHE (0.43)
SCHEMBL4496187 0.77 PARP1 (0.49) PARP1
SCHEMBL7954749 0.77 PKN1 (0.49) CYP3A4PKN1PKN2ADORA3MGAM
SCHEMBL4499273 0.76 RIPK1 (0.61) PIM1PKN1PKN2AURKARPS6KB1
SCHEMBL4490880 0.75 PDGFRB (0.58) PIM1PDGFRBFGFR1KDRCHEK1
SCHEMBL7966265 0.75 KAT2B (0.52) PIM1PKN1PKN2ADORA3MGAM
SCHEMBL8601355 0.74 PKN1 (0.55) CYP3A4PKN1PKN2ADORA3MGAM
SCHEMBL7477180 0.74 RIPK1 (0.46) PKN1PKN2ADORA3MGAMGAA
SCHEMBL7016736 0.74 PKN1 (0.46) PKN1PKN2ADORA3MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 PIM1 4115/4885PRKCQ 3428/4885CYP3A4 1305/4885

“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.