SCHEMBL982882

SCHEMBL982882

CC(C)OC(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.49
GRM5 P41594 7/20 0.49
HRH1 P35367 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
WDR5 P61964 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KCNN4 O15554 3/20 0.35
MET P08581 1/20 0.35
MAP3K5 Q99683 1/20 0.35
ATR Q13535 2/20 0.35
KIT P10721 1/20 0.35
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CYP11B2 P19099 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
SCHEMBL986695 0.90 NAMPT (0.41) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL2076538 0.89 GRM5 (0.51) GRM1GRM5CCNT1CDK9ATR
SCHEMBL988378 0.89 ERN1 (0.40) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL985675 0.88 CCNT1 (0.37) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL984990 0.88 NAMPT (0.38) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL982752 0.87 GRM1 (0.39) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL987001 0.86 ALDH1A1 (0.38) GRM1GRM5CCNT1CDK9KCNN4
SCHEMBL986714 0.86 GRM5 (0.48) GRM1GRM5CDK9ATRCYP11B2
SCHEMBL984594 0.85 ERN1 (0.37) GRM1GRM5HRH1TMEM97CCNT1
SCHEMBL985499 0.85 MAP3K5 (0.38) GRM1GRM5CCNT1CDK9KCNN4

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 13 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-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 GRM1 1117/4885GRM5 1526/4885HRH1 2201/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 GRM1 1117/4885GRM5 1526/4885HRH1 2201/4885

“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.