SCHEMBL5565646

SCHEMBL5565646

Nc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1nc2cc(F)ccc2n1-c1cccc(Cl)c1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 16/20 0.49
TGFBR1 P36897 12/20 0.49
JAK2 O60674 2/20 0.48
RIPK2 O43353 4/20 0.46
NOD2 Q9HC29 4/20 0.46
FYN P06241 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL5570227 0.90 FYN (0.48) ACVR1TGFBR1JAK2FYN
SCHEMBL5570216 0.86 ACVR1 (0.57) ACVR1TGFBR1JAK2RIPK2NOD2
SCHEMBL11946792 0.84 ACVR1 (0.51) ACVR1TGFBR1RIPK2NOD2FYN
SCHEMBL5570865 0.81 MET (0.52) JAK2JAK1TYK2JAK3
SCHEMBL11946791 0.80 IDO1 (0.36) FYN
SCHEMBL5571115 0.76 FYN (0.48) ACVR1TGFBR1FYN
SCHEMBL5570830 0.74 FYN (0.48) ACVR1TGFBR1RIPK2NOD2FYN
SCHEMBL20523501 0.70 TGFBR1 (0.74) ACVR1TGFBR1RIPK2NOD2FYN
SCHEMBL5570571 0.69 AKT1 (0.42) ACVR1TGFBR1
SCHEMBL5570081 0.68 MET (0.53) JAK2

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 11 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
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
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 ACVR1 796/4885TGFBR1 2052/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ACVR1 796/4885TGFBR1 2052/4885JAK2 33/4885

“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.