SCHEMBL7553122

SCHEMBL7553122

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cnccc2n1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 8/20 0.56
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
ROCK1 Q13464 1/20 0.45
DYRK1A Q13627 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.39
ATM Q13315 2/20 0.39
CASP1 P29466 1/20 0.38
DRD2 P14416 3/20 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
SCHEMBL7552014 0.91 RPS6KA5 (0.45) RPS6KA5RPS6KB1CDK2ROCK1DYRK1A
SCHEMBL7160121 0.88 NPC1 (0.53) RPS6KA5NPC1MAPTRAB9AALDH1A1
SCHEMBL7155951 0.85 NPC1 (0.40) RPS6KA5NPC1MAPTRAB9AALDH1A1
SCHEMBL7549611 0.81 CYP1A2 (0.40) RPS6KA5NPC1RAB9AALDH1A1LMNA
SCHEMBL7159437 0.81 NPC1 (0.42) RPS6KA5NPC1MAPTRAB9AALDH1A1
SCHEMBL7551086 0.81 KDM4E (0.40) RPS6KA5NPC1RAB9AALDH1A1KDM4E
SCHEMBL7555014 0.80 KDM4E (0.60) RPS6KA5RPS6KB1CDK2ROCK1DYRK1A
SCHEMBL7160069 0.78 KDM4E (0.37) NPC1MAPTRAB9AALDH1A1KDM4E
SCHEMBL7550136 0.78 RPS6KA5 (0.46) RPS6KA5RPS6KB1CDK2ROCK1DYRK1A
SCHEMBL7153857 0.74 PKM (0.50) NPC1MAPTRAB9AALDH1A1KDM4E

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 RPS6KA5 3324/4885RPS6KB1 2087/4885CDK2 1886/4885

“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.