SCHEMBL4412646

SCHEMBL4412646

Nc1ncc(-c2csc(C3CCNCC3)c2)nc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.34
FGFR1 P11362 6/20 0.34
FGFR2 P21802 6/20 0.34
FGFR3 P22607 6/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
KCNN4 O15554 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.32

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
SCHEMBL986350 0.86 LRRK2 (0.37) KCNN4MAP4K3
SCHEMBL4406272 0.81 FGFR1 (0.51) FGFR1FGFR2FGFR3MAP4K3
SCHEMBL4404523 0.81 FGFR1 (0.38) ATRFGFR1FGFR2FGFR3CDK1
SCHEMBL4406224 0.78 FGFR1 (0.48) FGFR1FGFR2FGFR3MAP4K3
SCHEMBL988277 0.78 JAK2 (0.36) KCNN4MAP4K3
SCHEMBL4404813 0.78 FGFR1 (0.46) FGFR1FGFR2FGFR3MAP4K3
SCHEMBL4404805 0.78 FGFR1 (0.46) FGFR1FGFR2FGFR3MAP4K3
SCHEMBL4408489 0.78 FGFR1 (0.46) FGFR1FGFR2FGFR3MAP4K3
SCHEMBL13593428 0.76 KCNN4 (0.38) KCNN4
SCHEMBL4403859 0.76 ATR (0.33) ATRCDK1CDK2MKNK1MKNK2

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 9 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
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
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP 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 ATR 1030/4885FGFR1 285/4885FGFR2 323/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ATR 1030/4885FGFR1 285/4885FGFR2 323/4885

“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.