SCHEMBL985530

SCHEMBL985530

CN(C)CC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MAP4K4 O95819 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 5/20 0.38
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNE1 P24864 1/20 0.37
MAPT P10636 1/20 0.36
ABL1 P00519 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
KDR P35968 1/20 0.36
FYN P06241 1/20 0.35
USP7 Q93009 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
DYRK1A Q13627 1/20 0.35
ATM Q13315 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
SCHEMBL985133 0.90 KCNN4 (0.41) TP53MAP4K4MEN1KMT2AKCNN4
SCHEMBL982851 0.89 GSK3B (0.43) TP53MAP4K4MEN1KMT2AKCNN4
SCHEMBL986576 0.89 KCNN4 (0.43) MEN1KMT2AKCNN4CDK2CDK9
SCHEMBL987108 0.89 AKT1 (0.39) TP53MEN1KMT2AKCNN4MAPT
SCHEMBL984454 0.88 FYN (0.46) MEN1KMT2AKCNN4FYNUSP7
SCHEMBL14399155 0.88 KCNN4 (0.37) TP53MAP4K4MEN1KMT2AKCNN4
SCHEMBL984929 0.87 KCNN4 (0.42) MAP4K4MEN1KMT2AKCNN4FYN
SCHEMBL986409 0.87 KCNN4 (0.40) TP53MEN1KMT2AKCNN4MAPT
SCHEMBL985666 0.87 KCNN4 (0.38) TP53MEN1KMT2AKCNN4KDR
SCHEMBL983410 0.87 KCNN4 (0.38) TP53MEN1KMT2AKCNN4MAPT

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
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 TP53 424/4885MAP4K4 150/4885MEN1 402/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TP53 424/4885MAP4K4 150/4885MEN1 402/4885

“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.