SCHEMBL6803221

SCHEMBL6803221

Nc1cc(N2CCN(CCCN3CCOCC3)CC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
TLR7 Q9NYK1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43
ADK P55263 1/20 0.43
KMO O15229 1/20 0.43
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KEAP1 Q14145 1/20 0.40
PIK3CB P42338 1/20 0.40
AKT1 P31749 2/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL6800730 0.96 KDR (0.53) KDRTLR7SMN1; SMN2HTTCYP2C19
SCHEMBL6803952 0.84 KDR (0.51) KDRTLR7SMN1; SMN2AKT1RPS6KB1
SCHEMBL807666 0.83 CYP2C19 (0.58) SMN1; SMN2HTTCYP2C19ADKKMO
SCHEMBL807662 0.80 TSHR (0.48) SMN1; SMN2HTTCYP2C19AKT1
SCHEMBL30662621 0.80 MKNK1 (0.46) KDRTLR7AKT1MAPTRPS6KB1
SCHEMBL28406969 0.80 MKNK1 (0.46) KDRTLR7AKT1MAPTRPS6KB1
SCHEMBL5889032 0.78 TSHR (0.54) TLR7SMN1; SMN2KMOMAPT
SCHEMBL30828973 0.78 CYP2C19 (0.53) SMN1; SMN2HTTCYP2C19ADKKMO
SCHEMBL26647473 0.78 CYP2C19 (0.53) SMN1; SMN2HTTCYP2C19ADKKMO
SCHEMBL2075530 0.76 KIT (0.48) TLR7SMN1; SMN2HTTAKT1MAPT

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-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 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-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885TLR7 1151/4885SMN1; SMN2 4473/4885

“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.