SCHEMBL6428901

SCHEMBL6428901

CN1CCC(Oc2cc(N3CC[C@@H](N(C)C)C3)cc3c2CNC(=O)N3)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.32
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
EZH2 Q15910 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
SCD O00767 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL4032232 0.73 SYK (0.40) KCNH2FLT3SYKPDGFRBFGFR1
SCHEMBL4040627 0.68 SRC (0.42) SYKKDR
SCHEMBL3282931 0.64 PDE3A (0.44)
SCHEMBL4033516 0.63 SYK (0.39) KCNH2FLT3SYKPDGFRBFGFR1
SCHEMBL13128616 0.59 HTR6 (0.41) KCNH2PDGFRBFGFR1KDR
SCHEMBL12564521 0.58 DPP4 (0.49) KDR
SCHEMBL12564068 0.58 DPP4 (0.49) KDR
SCHEMBL1911889 0.58 DPP4 (0.49) KDR
SCHEMBL1794500 0.57 CHRNA7 (0.49) KCNH2PDGFRBFGFR1KDR
SCHEMBL1794503 0.57 CHRNA7 (0.49) KCNH2PDGFRBFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP claimed
JP-2002512625-A 2002-04-23 JP claimed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP claimed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO claimed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 KCNH2 1510/4885FLT3 6/4885SYK 318/4885

“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.