SCHEMBL984990

SCHEMBL984990

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
GRM1 Q13255 7/20 0.38
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
GRM5 P41594 5/20 0.36
HRH1 P35367 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CNR1 P21554 1/20 0.36
MAP3K5 Q99683 1/20 0.35
KCNN4 O15554 4/20 0.35
LRRK2 Q5S007 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
SCHEMBL982752 0.92 GRM1 (0.39) NAMPTGRM1CCNT1CDK9GRM5
SCHEMBL986695 0.90 NAMPT (0.41) NAMPTGRM1CCNT1CDK9GRM5
SCHEMBL988378 0.89 ERN1 (0.40) GRM1CCNT1CDK9GRM5HRH1
SCHEMBL985675 0.88 CCNT1 (0.37) GRM1CCNT1CDK9GRM5HRH1
SCHEMBL985499 0.88 MAP3K5 (0.38) NAMPTGRM1CCNT1CDK9GRM5
SCHEMBL987033 0.88 CDK9 (0.39) NAMPTGRM1CCNT1CDK9GRM5
SCHEMBL982882 0.88 GRM1 (0.49) GRM1CCNT1CDK9GRM5HRH1
SCHEMBL987001 0.86 ALDH1A1 (0.38) NAMPTGRM1CCNT1CDK9GRM5
SCHEMBL984594 0.85 ERN1 (0.37) GRM1CCNT1CDK9GRM5HRH1
SCHEMBL2076538 0.85 GRM5 (0.51) GRM1CCNT1CDK9GRM5

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 NAMPT 3388/4885GRM1 1117/4885CCNT1 1060/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885GRM1 1117/4885CCNT1 1060/4885

“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.