SCHEMBL4412224

SCHEMBL4412224

Cc1c(Cl)cccc1-n1cnnc1-c1cc(-c2cccnc2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.47
CHEK2 O96017 1/20 0.42
JAK2 O60674 2/20 0.39
CYP11B2 P19099 2/20 0.37
P2RX7 Q99572 3/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
MAP4K4 O95819 1/20 0.36
CYP11B1 P15538 1/20 0.35
MEN1 O00255 1/20 0.34
PSIP1 O75475 1/20 0.34
AXL P30530 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP2A6 P11509 1/20 0.34
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 1/20 0.34
MYLK Q15746 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
MAP3K5 Q99683 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
SCHEMBL4408033 0.85 FYN (0.47) FYNCHEK2CYP11B2AKT1AKT2
SCHEMBL983498 0.83 FYN (0.47) FYNCHEK2JAK2P2RX7AKT1
SCHEMBL4406059 0.83 FYN (0.45) FYNCHEK2JAK2CYP11B2AKT1
SCHEMBL4405450 0.81 P2RX7 (0.41) FYNCHEK2P2RX7MAP4K4
SCHEMBL4409477 0.80 MAP4K4 (0.47) FYNCHEK2P2RX7MAP4K4MKNK1
SCHEMBL4409366 0.78 MAP4K4 (0.44) FYNP2RX7AKT1MAP4K4
SCHEMBL4408345 0.76 FYN (0.47) FYNCHEK2JAK2P2RX7AKT1
SCHEMBL984392 0.76 P2RX7 (0.49) FYNCHEK2JAK2P2RX7AKT1
SCHEMBL4414034 0.75 FYN (0.41) FYNP2RX7MAP4K4
SCHEMBL4408219 0.75 FYN (0.45) FYNCHEK2P2RX7MAP4K4

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
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-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
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 392/4885CHEK2 134/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885CHEK2 134/4885JAK2 33/4885

“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.