SCHEMBL986639

SCHEMBL986639

CC(=O)N1CCCC1C(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
UCHL1 P09936 3/20 0.34
ERN1 O75460 1/20 0.33
GRM1 Q13255 7/20 0.33
GRM5 P41594 5/20 0.33
NAMPT P43490 1/20 0.32
HRH1 P35367 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
KCNN4 O15554 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL986638 1.00 CCNT1 (0.34) CCNT1CDK9UCHL1ERN1GRM1
SCHEMBL986953 1.00 CCNT1 (0.34) CCNT1CDK9UCHL1ERN1GRM1
SCHEMBL982806 0.92 NAMPT (0.40) CCNT1CDK9UCHL1GRM1GRM5
SCHEMBL982807 0.92 NAMPT (0.40) CCNT1CDK9UCHL1GRM1GRM5
SCHEMBL988378 0.90 ERN1 (0.40) CCNT1CDK9ERN1GRM1GRM5
SCHEMBL987001 0.88 ALDH1A1 (0.38) CCNT1CDK9GRM1GRM5NAMPT
SCHEMBL984594 0.87 ERN1 (0.37) CCNT1CDK9ERN1GRM1GRM5
SCHEMBL985675 0.86 CCNT1 (0.37) CCNT1CDK9GRM1GRM5HRH1
SCHEMBL983192 0.85 CDK9 (0.35) CCNT1CDK9GRM1GRM5KCNN4
SCHEMBL985769 0.85 CDK9 (0.35) CCNT1CDK9GRM1GRM5KCNN4

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 CCNT1 1060/4885CDK9 288/4885UCHL1 2283/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CCNT1 1060/4885CDK9 288/4885UCHL1 2283/4885

“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.