SCHEMBL985357

SCHEMBL985357

CCN1CCCC1Cn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)nn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KCNN4 O15554 8/20 0.33
MAPK1 P28482 2/20 0.32
CHRNA7 P36544 3/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LRRK2 Q5S007 2/20 0.30
NR1I2 O75469 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
PBRM1 Q86U86 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
SCHEMBL985356 1.00 PIK3CD (0.34) PIK3CDPIK3CBPIK3CGKCNN4MAPK1
SCHEMBL985080 0.86 CHRNA7 (0.37) KCNN4MAPK1CHRNA7LRRK2
SCHEMBL985745 0.85 NPC1 (0.45) KCNN4
SCHEMBL984714 0.83 PDE8B (0.36) KCNN4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL984716 0.83 PDE8B (0.36) KCNN4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL2076275 0.83 PDE8B (0.36) KCNN4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL983661 0.82 CDC7 (0.42) KCNN4MAPK1LRRK2
SCHEMBL984501 0.82 KCNN4 (0.38) KCNN4MAPK1
SCHEMBL985770 0.81 PIK3CA (0.38) KCNN4MAPK1LRRK2
SCHEMBL987742 0.81 KCNN4 (0.37) KCNN4MAPK1

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 PIK3CD 262/4885PIK3CB 279/4885PIK3CG 325/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PIK3CD 262/4885PIK3CB 279/4885PIK3CG 325/4885

“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.