SCHEMBL986933

SCHEMBL986933

CN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.48
PRKD1 Q15139 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
WNT1 P04628 2/20 0.42
DYRK1A Q13627 2/20 0.42
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
FYN P06241 4/20 0.41
KLKB1 P03952 1/20 0.41
IGF1R P08069 1/20 0.40
CHEK2 O96017 1/20 0.40
MET P08581 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MAP4K4 O95819 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL985485 0.95 WNT1 (0.44) PRKD3PRKD1PRKD2WNT1DYRK1A
SCHEMBL985110 0.88 PRKD3 (0.48) PRKD3PRKD1PRKD2CDC7CDK19
SCHEMBL988095 0.84 CHEK2 (0.42) FYNCHEK2MAP4K4MKNK1
SCHEMBL982725 0.84 FYN (0.49) FYNCHEK2MAP4K4
SCHEMBL27900688 0.83 KCNN4 (0.40) FYNCHEK2MAP4K4MKNK1
SCHEMBL983011 0.83 KCNN4 (0.42) FYNCHEK2MAP4K4MKNK1
SCHEMBL982754 0.83 CHEK2 (0.53) FYNCHEK2MAP4K4MKNK1
SCHEMBL985338 0.83 FYN (0.43) PRKD3PRKD1PRKD2FYNKLKB1
SCHEMBL985530 0.83 TP53 (0.39) DYRK1AFYNMAP4K4
SCHEMBL985525 0.82 KCNN4 (0.40) DYRK1A

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
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 PRKD3 100/4885PRKD1 113/4885PRKD2 111/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PRKD3 100/4885PRKD1 113/4885PRKD2 111/4885

“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.