SCHEMBL5570830

SCHEMBL5570830

CN1CCN(c2ccc(-c3cnc(N)c(-c4nc5cnccc5n4-c4cccc(F)c4F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.48
MAP4K1 Q92918 3/20 0.42
RPS6KA3 P51812 3/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
ACVR1 Q04771 4/20 0.40
TGFBR1 P36897 3/20 0.40
AOC3 Q16853 1/20 0.40
RIPK2 O43353 1/20 0.38
NOD2 Q9HC29 1/20 0.38
FLT3 P36888 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MELK Q14680 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
SCHEMBL11946792 0.90 ACVR1 (0.51) FYNRPS6KA3ACVR1TGFBR1RIPK2
SCHEMBL5570825 0.88 AOC3 (0.44) AOC3FLT3
SCHEMBL5570227 0.84 FYN (0.48) FYNMAP4K1ACVR1TGFBR1CDK4
SCHEMBL5566983 0.82 AKT1 (0.46) FYNAOC3
SCHEMBL5565437 0.82 CHEK1 (0.41) AOC3
SCHEMBL13593438 0.82 AKT1 (0.39) AOC3
SCHEMBL5570593 0.82 RPS6KA5 (0.38) FYNAOC3
SCHEMBL4405827 0.81 FYN (0.53) FYNMAP4K1RPS6KA3ACVR1TGFBR1
SCHEMBL5565640 0.80 MAPK10 (0.45) FYN
SCHEMBL5571115 0.80 FYN (0.48) FYNACVR1TGFBR1

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 FYN 392/4885MAP4K1 104/4885RPS6KA3 123/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885MAP4K1 104/4885RPS6KA3 123/4885

“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.