SCHEMBL987126

SCHEMBL987126

COC(=O)C(C)NC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.41
FYN P06241 4/20 0.40
USP7 Q93009 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
KCNN4 O15554 2/20 0.37
EIF2S1 P05198 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
BRAF P15056 1/20 0.35
CCR3 P51677 5/20 0.35
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
LIMK1 P53667 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
SCHEMBL982611 0.93 KDR (0.38) FYNNPSR1MEN1KMT2ATSHR
SCHEMBL27900677 0.92 FYN (0.43) CHEK2FYNUSP7KCNN4EIF2S1
Methane SCHEMBL987128 0.92 FYN (0.40) CHEK2FYNUSP7KCNN4EIF2S1
SCHEMBL4406324 0.91 CA12 (0.44) CHEK2FYNUSP7KCNN4EIF2S1
SCHEMBL28805613 0.87 FYN (0.41) CHEK2FYNUSP7EIF2S1EIF2AK3
SCHEMBL986437 0.87 FYN (0.44) CHEK2FYNUSP7KCNN4
Methane SCHEMBL4406328 0.86 TP53 (0.42) CHEK2FYNUSP7EIF2S1EIF2AK3
SCHEMBL986668 0.86 FYN (0.55) CHEK2FYNUSP7MEN1KMT2A
SCHEMBL14398638 0.85 FYN (0.38) CHEK2FYNUSP7EIF2S1EIF2AK3
SCHEMBL985051 0.85 CA12 (0.41) FYNKCNN4EIF2S1EIF2AK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK2 134/4885FYN 392/4885USP7 2086/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHEK2 134/4885FYN 392/4885USP7 2086/4885

“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.