SCHEMBL984208

SCHEMBL984208

Nc1ncc(Br)cc1-c1nncn1-c1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
AKT1 P31749 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL985336 0.89 HCAR1 (0.37) ALDH1A1HCAR1KMT2AGABRG2GABRB3
SCHEMBL4405468 0.83 MAP4K4 (0.42) CYP17A1MAPK1
SCHEMBL4405964 0.82 MAP4K4 (0.38) ALDH1A1HCAR1CYP17A1GABRG2GABRB3
SCHEMBL4416785 0.82 MAP4K4 (0.43) ALDH1A1AKT1MAPK1
SCHEMBL4405659 0.82 LRRK2 (0.46) MAPK1
SCHEMBL4405988 0.81 MAP4K4 (0.47) MAPK1
SCHEMBL985033 0.81 P2RX7 (0.40) ALDH1A1HCAR1KMT2AGABRG2GABRB3
SCHEMBL985906 0.81 HCAR1 (0.36) ALDH1A1HCAR1PI4KAPI4K2BPI4K2A
SCHEMBL4406059 0.81 FYN (0.45) ALDH1A1AKT1
SCHEMBL986259 0.81 ALDH1A1 (0.41) ALDH1A1HCAR1PI4KAPI4K2BPI4K2A

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 8 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
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 ALDH1A1 3864/4885HCAR1 4131/4885HTT 1886/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885HCAR1 4131/4885HTT 1886/4885

“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.