SCHEMBL5565467

SCHEMBL5565467

Nc1ncc(-c2cccnc2)cc1-c1nn(CC(F)(F)F)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
JAK2 O60674 2/20 0.41
CHEK2 O96017 1/20 0.39
MAT2A P31153 1/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
MAP4K4 O95819 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRIN2B Q13224 1/20 0.35
EPHB4 P54760 1/20 0.35
TRPA1 O75762 1/20 0.34
P2RX7 Q99572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PDK2 Q15119 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNA5 P22460 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL5570435 0.86 CHEK2 (0.44) FYNJAK2CHEK2MAT2AAKT1
SCHEMBL5565678 0.86 L3MBTL1 (0.46) FYNJAK2CHEK2AKT1AKT2
SCHEMBL5565497 0.83 FYN (0.49) FYNJAK2CHEK2AKT1AKT2
SCHEMBL5570460 0.83 CNR2 (0.52) JAK2PTPN11
SCHEMBL5566998 0.82 NEK2 (0.39) FYNMAP4K4PTPN11
SCHEMBL5565586 0.80 TNIK (0.42) PTPN11
SCHEMBL5570352 0.77 FYN (0.41) FYNJAK2CHEK2AKT1AKT2
SCHEMBL5567001 0.75 HCRTR1 (0.45) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL984911 0.73 FYN (0.47) FYNJAK2CHEK2AKT1AKT2
SCHEMBL11946789 0.73 FYN (0.46) FYNJAK2CHEK2AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP 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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 FYN 392/4885JAK2 33/4885CHEK2 134/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885JAK2 33/4885CHEK2 134/4885

“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.