SCHEMBL985022

SCHEMBL985022

Nc1ncc(-c2ccc(Cl)cc2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.47
KCNN4 O15554 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL986185 0.92 FYN (0.45) MAP4K4KCNN4L3MBTL1LMNAHTT
SCHEMBL984938 0.92 KCNN4 (0.46) MAP4K4KCNN4
SCHEMBL986912 0.91 KCNN4 (0.43) MAP4K4KCNN4L3MBTL1LMNACYP1A2
SCHEMBL985174 0.91 KCNN4 (0.45) MAP4K4KCNN4
SCHEMBL986230 0.90 KCNN4 (0.49) MAP4K4KCNN4
SCHEMBL985441 0.90 KCNN4 (0.44) MAP4K4KCNN4LMNA
SCHEMBL982622 0.90 USP7 (0.48) MAP4K4KCNN4MINK1TNIK
SCHEMBL984954 0.89 KCNN4 (0.42) KCNN4
SCHEMBL985028 0.89 KCNN4 (0.43) KCNN4
SCHEMBL985341 0.89 KCNN4 (0.45) KCNN4L3MBTL1

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 MAP4K4 150/4885KCNN4 4013/4885L3MBTL1 1318/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K4 150/4885KCNN4 4013/4885L3MBTL1 1318/4885

“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.