SCHEMBL985557

SCHEMBL985557

Nc1ncc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
KDR P35968 7/20 0.42
BRAF P15056 3/20 0.42
CYP3A4 P08684 1/20 0.42
FLT1 P17948 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KIT P10721 3/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
ROCK2 O75116 2/20 0.39
ABL1 P00519 2/20 0.39
NTRK1 P04629 2/20 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
SCHEMBL984853 0.94 BRAF (0.47) TAAR1KDRBRAFCYP3A4MEN1
SCHEMBL984929 0.87 KCNN4 (0.42) MEN1KMT2ADYRK1AMAP4K4FYN
SCHEMBL984454 0.87 FYN (0.46) MEN1KMT2AFYNCHEK2ATR
SCHEMBL985955 0.86 JAK2 (0.40) KDRBRAFFLT1KITPLK4
SCHEMBL985229 0.86 TBK1 (0.43) LMNACHEK2GSK3B
SCHEMBL985141 0.86 KIT (0.41) KDRFLT1KITPLK4AURKA
SCHEMBL985242 0.86 KDR (0.42) KDRCYP3A4FLT1MEN1KMT2A
Methane SCHEMBL982614 0.85 EIF2S1 (0.37) KDRFLT1LMNAKITPLK4
SCHEMBL985133 0.85 KCNN4 (0.41) MEN1KMT2ATP53MAP4K4FYN
SCHEMBL986578 0.85 KCNN4 (0.41) KDRFYNCHEK2

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 13 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-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 TAAR1 4051/4885KDR 232/4885BRAF 10/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TAAR1 4051/4885KDR 232/4885BRAF 10/4885

“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.