SCHEMBL5570593

SCHEMBL5570593

CN(C)Cc1ccc(-c2cnc(N)c(-c3nc4cnccc4n3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 4/20 0.38
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
AOC3 Q16853 2/20 0.36
AURKA O14965 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
FYN P06241 1/20 0.35
AKT3 Q9Y243 1/20 0.34
PARP1 P09874 1/20 0.34
PIK3CA P42336 2/20 0.34
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 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
SCHEMBL13593438 0.88 AKT1 (0.39) RPS6KA5AKT1AKT2AOC3AKT3
SCHEMBL5565437 0.85 CHEK1 (0.41) RPS6KA5AKT1AKT2AOC3PARP1
SCHEMBL5570825 0.85 AOC3 (0.44) AOC3CDK2PIK3CADYRK1ATLR7
SCHEMBL5566983 0.84 AKT1 (0.46) RPS6KA5AKT1AKT2AOC3FYN
SCHEMBL11946791 0.83 IDO1 (0.36) AURKACDK2TTKNEK2PLK1
SCHEMBL5570467 0.83 TGFBR1 (0.39) RPS6KA5PIK3CA
SCHEMBL5570830 0.82 FYN (0.48) AOC3FYN
SCHEMBL5565640 0.82 MAPK10 (0.45) AKT1AKT2FYNAKT3
SCHEMBL5565496 0.81 HRH3 (0.41) AKT1AOC3
SCHEMBL11946792 0.80 ACVR1 (0.51) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RPS6KA5 160/4885AKT1 72/4885AKT2 157/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 RPS6KA5 160/4885AKT1 72/4885AKT2 157/4885

“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.