SCHEMBL984716

SCHEMBL984716

Nc1ncc(-c2cn(CC3CCCO3)nn2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.36
SCN9A Q15858 1/20 0.35
KCNN4 O15554 2/20 0.34
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL2076275 1.00 PDE8B (0.36) PDE8BSCN9AKCNN4ALDH1A1MEN1
SCHEMBL984714 1.00 PDE8B (0.36) PDE8BSCN9AKCNN4ALDH1A1MEN1
SCHEMBL983661 0.88 CDC7 (0.42) KCNN4NPC1RAB9A
SCHEMBL985745 0.87 NPC1 (0.45) KCNN4NPC1RAB9A
SCHEMBL985356 0.83 PIK3CD (0.34) KCNN4ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL985357 0.83 PIK3CD (0.34) KCNN4ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL986421 0.82 KCNN4 (0.39) KCNN4
SCHEMBL983033 0.82 FLT3 (0.45)
SCHEMBL986613 0.81 KCNN4 (0.39) KCNN4
SCHEMBL985770 0.81 PIK3CA (0.38) KCNN4

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 5 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

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 PDE8B 921/4885SCN9A 3497/4885KCNN4 4013/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PDE8B 921/4885SCN9A 3497/4885KCNN4 4013/4885

“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.