SCHEMBL4516401

SCHEMBL4516401

O=C(O)c1cccc2[nH]c(NCC3CCNCC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.48
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
PIM1 P11309 1/20 0.47
PARP2 Q9UGN5 1/20 0.45
RIPK1 Q13546 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
DHODH Q02127 2/20 0.43
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 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
SCHEMBL4499273 0.88 RIPK1 (0.61) PARP1AURKARPS6KB1PIM1PARP2
SCHEMBL4504445 0.79 PIM1 (0.47) PARP1AURKARPS6KB1PIM1PDGFRB
SCHEMBL4495617 0.79 PARP1 (0.56) PARP1KDM4E
Hydrochloric Acid SCHEMBL4507414 0.76 RIPK1 (0.44) PARP1AURKARPS6KB1PIM1RIPK1
SCHEMBL4503909 0.75 SLC2A1 (0.44) PARP1PARP2KDM4E
SCHEMBL5620711 0.75 PARP1 (0.79) PARP1PARP2
Trifluoroacetic Acid SCHEMBL4527538 0.75 PDGFRB (0.51) PDGFRBFGFR1KDR
SCHEMBL4506111 0.75 LMNA (0.43) PARP1PARP2
SCHEMBL4490880 0.75 PDGFRB (0.58) PIM1PDGFRBFGFR1KDR
SCHEMBL4244377 0.74 PBK (0.53) PARP1

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 PARP1 972/4885AURKA 2230/4885RPS6KB1 4139/4885

“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.