SCHEMBL985485

SCHEMBL985485

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
FYN P06241 9/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TET3 O43151 1/20 0.41
TET2 Q6N021 1/20 0.41
TET1 Q8NFU7 1/20 0.41
CHEK2 O96017 1/20 0.40
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
CHUK O15111 2/20 0.38
INSR P06213 2/20 0.38
MAPK8 P45983 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
MAPK14 Q16539 1/20 0.38
NAMPT P43490 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
SCHEMBL986933 0.95 PRKD3 (0.48) WNT1DYRK1APRKD3PRKD1PRKD2
SCHEMBL985338 0.88 FYN (0.43) PRKD3PRKD1PRKD2FYNL3MBTL1
SCHEMBL985110 0.83 PRKD3 (0.48) PRKD3PRKD1PRKD2FYNCHEK2
SCHEMBL988095 0.83 CHEK2 (0.42) FYNCHEK2
SCHEMBL982725 0.83 FYN (0.49) FYNCHEK2MAPK14
SCHEMBL983011 0.82 KCNN4 (0.42) FYNCHEK2CAMKK2
SCHEMBL27900688 0.82 KCNN4 (0.40) FYNCHEK2
SCHEMBL982754 0.82 CHEK2 (0.53) FYNCHEK2
SCHEMBL11946732 0.81 KCNH2 (0.38) FYNCHEK2
SCHEMBL985530 0.81 TP53 (0.39) DYRK1AFYN

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 12 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-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 WNT1 2379/4885DYRK1A 1036/4885PRKD3 100/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 WNT1 2379/4885DYRK1A 1036/4885PRKD3 100/4885

“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.