SCHEMBL986522

SCHEMBL986522

Nc1ncccc1-c1nncn1-c1cccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.39
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
AKT3 Q9Y243 2/20 0.34
MAP4K4 O95819 1/20 0.34
IDO1 P14902 1/20 0.34
KAT2B Q92831 1/20 0.34
PIK3CA P42336 1/20 0.34
NOTUM Q6P988 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL982271 0.89 P2RX7 (0.49) P2RX7HCAR1ALDH1A1NOTUM
SCHEMBL986259 0.88 ALDH1A1 (0.41) P2RX7HCAR1ALDH1A1AKT1AKT2
SCHEMBL986323 0.84 HCAR1 (0.40) P2RX7HCAR1ALDH1A1IDO1KAT2B
SCHEMBL985336 0.81 HCAR1 (0.37) P2RX7HCAR1ALDH1A1IDO1KAT2B
SCHEMBL984608 0.79 NOTUM (0.39) AKT1AKT2AKT3NOTUMPDE4B
SCHEMBL987916 0.78 KCNN4 (0.52) P2RX7ALDH1A1
SCHEMBL987134 0.78 NOTUM (0.38) ALDH1A1AKT1AKT2AKT3MAP4K4
SCHEMBL4405964 0.78 MAP4K4 (0.38) HCAR1ALDH1A1AKT1MAP4K4GRIN1
SCHEMBL4409574 0.76 LRRK2 (0.43) HCAR1MAP4K4RXRAGRIN1GRIN2B
SCHEMBL982367 0.75 HCAR1 (0.37) P2RX7HCAR1IDO1KAT2BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN 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-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
CN-101479255-A c-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA (US) 2009-07-08 CN disclosed
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP 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 P2RX7 3624/4885HCAR1 4131/4885ALDH1A1 3864/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885HCAR1 4131/4885ALDH1A1 3864/4885

“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.