SCHEMBL7553105

SCHEMBL7553105

CN(C)CCN(CCN(C)C)c1ccccc1-c1nc2ccncc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.55
AURKA O14965 1/20 0.48
METAP1 P53582 2/20 0.47
METAP2 P50579 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPY5R Q15761 1/20 0.41
HSP90AB1 P08238 2/20 0.40
JMJD6 Q6NYC1 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PTGES O14684 1/20 0.40
RPS6KA5 O75582 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7156591 0.90 PDE5A (0.43) PDE5AAURKAMETAP1METAP2ALDH1A1
SCHEMBL7553973 0.88 PDE5A (0.53) PDE5AAURKAMETAP1METAP2ADORA3
SCHEMBL7160066 0.86 NPC1 (0.54) ALDH1A1HPGDPKMKDM4ENPC1
SCHEMBL7153868 0.80 METAP2 (0.48) PDE5AAURKAMETAP1METAP2NPY5R
SCHEMBL7553825 0.80 HRH4 (0.53) METAP1METAP2ADORA3ALDH1A1HPGD
SCHEMBL7548148 0.79 KDM4E (0.40) PDE5AALDH1A1HPGDKDM4ENPC1
SCHEMBL7158379 0.79 PDE5A (0.42) PDE5AMETAP2ALDH1A1HPGDPKM
SCHEMBL7553109 0.78 NPC1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7548763 0.78 PDE5A (0.43) PDE5AAURKAMETAP1METAP2ADORA3
SCHEMBL7551054 0.78 AURKA (0.71) PDE5AAURKAMETAP1METAP2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 PDE5A 3671/4885AURKA 4675/4885METAP1 1325/4885

“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.