SCHEMBL6800730

SCHEMBL6800730

Nc1cc(N2CCN(CCN3CCOCC3)CC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
CYP2C19 P33261 1/20 0.47
ADK P55263 1/20 0.46
KMO O15229 1/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
PIK3CB P42338 1/20 0.42
AKT1 P31749 4/20 0.41
RPS6KB1 P23443 3/20 0.41
ELOVL1 Q9BW60 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6803221 0.96 KDR (0.55) KDRCYP2C19ADKKMOHTT
SCHEMBL6803952 0.88 KDR (0.51) KDRSMN1; SMN2TLR7AKT1RPS6KB1
SCHEMBL807666 0.87 CYP2C19 (0.58) CYP2C19ADKKMOHTTSMN1; SMN2
SCHEMBL807662 0.83 TSHR (0.48) CYP2C19HTTSMN1; SMN2AKT1JAK2
SCHEMBL5889032 0.82 TSHR (0.54) KMOSMN1; SMN2TLR7KDM4E
SCHEMBL26647473 0.81 CYP2C19 (0.53) CYP2C19ADKKMOHTTSMN1; SMN2
SCHEMBL30828973 0.81 CYP2C19 (0.53) CYP2C19ADKKMOHTTSMN1; SMN2
SCHEMBL2075530 0.80 KIT (0.48) HTTSMN1; SMN2TLR7AKT1LRRK2
SCHEMBL6801091 0.79 MAP4K4 (0.57) KDRCYP2C19PIK3CAMTORTLR7
SCHEMBL28406969 0.77 MKNK1 (0.46) KDRTLR7AKT1RPS6KB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO 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 (2 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CYP2C19 4843/4885ADK 666/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CYP2C19 4843/4885ADK 666/4885

“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.