SCHEMBL984853

SCHEMBL984853

Nc1ncc(-c2cccc(NC(=O)Nc3cccnc3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ATR Q13535 1/20 0.42
CNR1 P21554 1/20 0.41
KDR P35968 2/20 0.41
FYN P06241 1/20 0.41
USP7 Q93009 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
RIPK1 Q13546 1/20 0.40
CHEK2 O96017 2/20 0.40
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL985557 0.94 TAAR1 (0.42) BRAFTAAR1ATRCNR1KDR
SCHEMBL986668 0.88 FYN (0.55) ATRFYNUSP7MEN1KMT2A
SCHEMBL986141 0.87 BRAF (0.44) BRAFKDRFYNUSP7TP53
SCHEMBL986341 0.87 BRAF (0.41) BRAFKDRFYNUSP7MEN1
SCHEMBL985504 0.86 FYN (0.46) FYNCYP3A4HTTCHEK2
Methane SCHEMBL987128 0.86 FYN (0.40) BRAFFYNUSP7LMNACHEK2
SCHEMBL27900673 0.86 FYN (0.44) BRAFFYNUSP7CHEK2
SCHEMBL986437 0.85 FYN (0.44) FYNUSP7TP53CHEK2
SCHEMBL985934 0.85 ALDH1A1 (0.43) BRAFKDRFYNUSP7MEN1
SCHEMBL986702 0.85 MAP4K4 (0.47) BRAFKDRFYNUSP7MEN1

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 15 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

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 BRAF 10/4885TAAR1 4051/4885ATR 1030/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 BRAF 10/4885TAAR1 4051/4885ATR 1030/4885

“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.