SCHEMBL2074816

SCHEMBL2074816

CC(C)(C)OC(=O)N1C[C@H]2CC(c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)C[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
PBRM1 Q86U86 2/20 0.35
KCNN4 O15554 4/20 0.35
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
USP30 Q70CQ3 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ATR Q13535 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2074815 1.00 SCN9A (0.38) SCN9AALOX5APFEN1SMARCA2SMARCA4
SCHEMBL985354 0.88 KCNN4 (0.39) KCNN4
SCHEMBL988283 0.84 CDK9 (0.41) SCN9AALOX5APFEN1SMARCA2SMARCA4
SCHEMBL988284 0.84 CDK9 (0.41) SCN9AALOX5APFEN1SMARCA2SMARCA4
SCHEMBL985129 0.80 KCNN4 (0.42) KCNN4
SCHEMBL2076538 0.79 GRM5 (0.51) GRM5GRM1ATR
SCHEMBL988571 0.78 GRM5 (0.43) SCN9ASMARCA2SMARCA4PBRM1KCNN4
SCHEMBL11946811 0.78 TP53 (0.40) ALOX5APFEN1GRM5GRM1TP53
SCHEMBL986714 0.77 GRM5 (0.48) GRM5GRM1ATR
SCHEMBL4412463 0.77 KCNN4 (0.39) 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 12 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
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-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 SCN9A 3497/4885ALOX5AP 4643/4885FEN1 1757/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 SCN9A 3497/4885ALOX5AP 4643/4885FEN1 1757/4885

“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.