SCHEMBL4406437

SCHEMBL4406437

CN1CCN(c2ccc(-c3cc(-c4nncn4-c4cccc(F)c4F)c(N)nn3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.40
RPS6KA3 P51812 2/20 0.38
FYN P06241 2/20 0.36
JAK2 O60674 2/20 0.36
MELK Q14680 1/20 0.36
CHEK1 O14757 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL4407309 0.87 FYN (0.52) MAP4K1RPS6KA3FYN
SCHEMBL4407291 0.84 CHEK1 (0.51) MAP4K1RPS6KA3FYNJAK2CHEK1
SCHEMBL4409344 0.79 CNR2 (0.41)
SCHEMBL5783543 0.79 MELK (0.39) MAP4K1RPS6KA3FYNMELKCHEK1
SCHEMBL4827257 0.77 MAP4K1 (0.53) MAP4K1RPS6KA3
SCHEMBL4405827 0.73 FYN (0.53) MAP4K1RPS6KA3FYN
SCHEMBL4405659 0.71 LRRK2 (0.46) FYNCHEK2
SCHEMBL4406024 0.71 CHEK1 (0.53) MAP4K1RPS6KA3FYNJAK2CHEK1
SCHEMBL984293 0.71 FYN (0.52) MAP4K1RPS6KA3FYN
SCHEMBL4829134 0.71 MAP4K1 (0.43) MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MAP4K1 104/4885RPS6KA3 123/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K1 104/4885RPS6KA3 123/4885FYN 392/4885

“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.