SCHEMBL987719

SCHEMBL987719

Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.57
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
KCNH2 Q12809 2/20 0.47
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK1G2 P78368 1/20 0.47
MAP4K2 Q12851 1/20 0.47

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
SCHEMBL982722 0.85 CHEK2 (0.41) LRRK2ACVR1PLK4MAP4K4ROS1
SCHEMBL27918483 0.82 KCNN4 (0.40) LRRK2MAP4K4PRKD2FYN
SCHEMBL984753 0.82 FYN (0.42) MAP4K4FYN
SCHEMBL986040 0.82 KCNN4 (0.40) ATRHPGD
SCHEMBL985450 0.81 KCNN4 (0.46) FYN
SCHEMBL985930 0.80 FYN (0.43) BMPR1ATGFBR1ACVRL1ACVR1FYN
SCHEMBL984435 0.80 KCNN4 (0.45) MAP4K4FYN
SCHEMBL986230 0.80 KCNN4 (0.49) MAP4K4
SCHEMBL982754 0.79 CHEK2 (0.53) MAP4K4FYN
SCHEMBL984295 0.79 SLC2A1 (0.49) MAP4K4HPGD

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
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
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 LRRK2 347/4885BMPR1B 1627/4885BMPR1A 1567/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LRRK2 347/4885BMPR1B 1627/4885BMPR1A 1567/4885

“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.