SCHEMBL986016

SCHEMBL986016

Nc1ncc(Br)cc1-c1nnnn1-c1cccc(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 16/20 0.46
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL984885 0.89 KCNN4 (0.48) KCNN4
SCHEMBL985302 0.89 KCNN4 (0.42) KCNN4ALDH1A1TSHR
SCHEMBL982171 0.87 KCNN4 (0.46) KCNN4ALDH1A1TSHR
SCHEMBL986420 0.82 FYN (0.44) KCNN4ALDH1A1L3MBTL1
SCHEMBL1425415 0.82 KCNN4 (0.38) KCNN4ALDH1A1
SCHEMBL987916 0.81 KCNN4 (0.52) KCNN4ALDH1A1TSHR
SCHEMBL982287 0.81 GABRA1 (0.38) TSHRL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL1425428 0.81 KCNN4 (0.37) KCNN4
SCHEMBL985584 0.80 USP7 (0.36) RXRAGRIN1GRIN2B
SCHEMBL985336 0.80 HCAR1 (0.37) ALDH1A1RXRAGRIN1GRIN2B

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 KCNN4 4013/4885ALDH1A1 3864/4885TSHR 2018/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KCNN4 4013/4885ALDH1A1 3864/4885TSHR 2018/4885

“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.