SCHEMBL984739

SCHEMBL984739

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(Cl)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
CHEK2 O96017 1/20 0.43
JAK2 O60674 2/20 0.42
BCHE P06276 1/20 0.42
MAP4K4 O95819 2/20 0.41
KCNN4 O15554 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
P2RX7 Q99572 4/20 0.39
EPHB4 P54760 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
KCNH2 Q12809 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL986671 0.92 FYN (0.44) FYNCHEK2JAK2KCNN4L3MBTL1
SCHEMBL983010 0.90 FYN (0.45) FYNCHEK2JAK2MAP4K4L3MBTL1
SCHEMBL982823 0.86 FYN (0.41) FYNCHEK2JAK2KCNN4L3MBTL1
SCHEMBL985986 0.86 JAK2 (0.48) FYNCHEK2JAK2MAP4K4KCNN4
SCHEMBL987401 0.86 JAK2 (0.46) FYNCHEK2JAK2BCHEMAP4K4
SCHEMBL986420 0.85 FYN (0.44) FYNCHEK2JAK2KCNN4L3MBTL1
SCHEMBL985504 0.84 FYN (0.46) FYNCHEK2KCNN4L3MBTL1ALDH1A1
SCHEMBL987460 0.84 JAK2 (0.45) FYNCHEK2JAK2BCHEMAP4K4
SCHEMBL988441 0.84 FYN (0.47) FYNCHEK2JAK2KCNN4L3MBTL1
SCHEMBL986850 0.83 FYN (0.44) FYNCHEK2JAK2BCHEMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
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
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 392/4885CHEK2 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.