SCHEMBL985497

SCHEMBL985497

COc1ccc(F)cc1-n1nnnc1-c1cc(-c2ccc(CN3CCCC3)cc2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.43
LRRK2 Q5S007 3/20 0.42
ABCB1 P08183 1/20 0.40
MAP4K1 Q92918 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVR1 Q04771 2/20 0.39
TNIK Q9UKE5 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
KCNN4 O15554 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 2/20 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
SCHEMBL27918572 0.90 LRRK2 (0.41) FYNLRRK2ABCB1KCNN4CHEK1
SCHEMBL986252 0.89 LRRK2 (0.43) LRRK2TNIKTLR7KCNN4CHEK1
SCHEMBL986530 0.88 LRRK2 (0.43) LRRK2TNIKTLR7CHEK1
SCHEMBL27918602 0.86 ACVR1 (0.42) FYNLRRK2ABCB1TGFBR1ACVR1
SCHEMBL985790 0.85 FYN (0.45) FYNTGFBR1ACVR1TNIKKCNN4
SCHEMBL985135 0.85 LRRK2 (0.41) FYNLRRK2ACVR1TLR7KCNN4
SCHEMBL985484 0.84 LRRK2 (0.42) LRRK2TNIKTLR7KCNN4CHEK1
SCHEMBL984924 0.83 LRRK2 (0.44) LRRK2TNIKTLR7CHEK1
SCHEMBL986375 0.83 LRRK2 (0.43) LRRK2TNIKTLR7KCNN4
SCHEMBL986191 0.82 LRRK2 (0.43) LRRK2TNIKTLR7CHEK1

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 FYN 392/4885LRRK2 347/4885ABCB1 1156/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885LRRK2 347/4885ABCB1 1156/4885

“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.