SCHEMBL986437

SCHEMBL986437

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.44
USP7 Q93009 1/20 0.44
CHEK2 O96017 2/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAK O14976 1/20 0.39
TP53 P04637 3/20 0.39
PRMT6 Q96LA8 1/20 0.38
KCNN4 O15554 4/20 0.37
MET P08581 1/20 0.37
SLC2A1 P11166 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL987266 0.92 SLC2A1 (0.44) FYNUSP7CHEK2KCNN4MET
SCHEMBL986668 0.91 FYN (0.55) FYNUSP7CHEK2KCNN4MAP4K4
SCHEMBL27900673 0.89 FYN (0.44) FYNUSP7CHEK2KCNN4MAP4K4
SCHEMBL27900677 0.88 FYN (0.43) FYNUSP7CHEK2KCNN4
Methane SCHEMBL987128 0.87 FYN (0.40) FYNUSP7CHEK2KCNN4SMN1; SMN2
SCHEMBL986141 0.87 BRAF (0.44) FYNUSP7CHEK2RAB9ANPC1
SCHEMBL987126 0.87 CHEK2 (0.41) FYNUSP7CHEK2KCNN4
SCHEMBL985934 0.87 ALDH1A1 (0.43) FYNUSP7CHEK2ALDH1A1MAP4K4
SCHEMBL28802215 0.86 CDK8 (0.46) FYNUSP7CHEK2KCNN4SMN1; SMN2
SCHEMBL28805613 0.85 FYN (0.41) FYNUSP7CHEK2TP53

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

“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.