SCHEMBL985353

SCHEMBL985353

Nc1ncc(-c2ccc(CN3CCCC3)s2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 13/20 0.43
TBK1 Q9UHD2 13/20 0.43
NEK2 P51955 2/20 0.41
INPPL1 O15357 2/20 0.37
KCNN4 O15554 2/20 0.36

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
SCHEMBL985013 0.84 LRRK2 (0.42) KCNN4
SCHEMBL986663 0.84 LRRK2 (0.42) KCNN4
SCHEMBL984801 0.83 LRRK2 (0.47) KCNN4
SCHEMBL983565 0.82 KCNN4 (0.35) NEK2KCNN4
SCHEMBL986853 0.82 LRRK2 (0.41) KCNN4
SCHEMBL984485 0.80 KCNN4 (0.36) KCNN4
SCHEMBL985829 0.80 LRRK2 (0.44) KCNN4
SCHEMBL986582 0.79 CA12 (0.42) KCNN4
SCHEMBL11954262 0.79 LRRK2 (0.39) KCNN4
SCHEMBL2077198 0.79 FYN (0.52) IKBKETBK1KCNN4

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 16 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 claimed
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 IKBKE 293/4885TBK1 356/4885NEK2 484/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 IKBKE 293/4885TBK1 356/4885NEK2 484/4885

“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.