SCHEMBL982807

SCHEMBL982807

CN1CCCC1C(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
CDK9 P50750 2/20 0.35
CCNT1 O60563 1/20 0.35
GRM1 Q13255 7/20 0.33
GRM5 P41594 5/20 0.33
ATR Q13535 5/20 0.33
HRH1 P35367 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
KCNN4 O15554 2/20 0.32
CDK4 P11802 2/20 0.32
CDK2 P24941 2/20 0.32
CDK6 Q00534 2/20 0.32
CDK1 P06493 1/20 0.32
CDK7 P50613 1/20 0.32
UCHL1 P09936 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
SCHEMBL982806 1.00 NAMPT (0.40) NAMPTCDK9CCNT1GRM1GRM5
SCHEMBL986639 0.92 CCNT1 (0.34) NAMPTCDK9CCNT1GRM1GRM5
SCHEMBL986638 0.92 CCNT1 (0.34) NAMPTCDK9CCNT1GRM1GRM5
SCHEMBL986953 0.92 CCNT1 (0.34) NAMPTCDK9CCNT1GRM1GRM5
SCHEMBL987001 0.89 ALDH1A1 (0.38) NAMPTCDK9CCNT1GRM1GRM5
SCHEMBL988378 0.87 ERN1 (0.40) CDK9CCNT1GRM1GRM5HRH1
SCHEMBL985675 0.86 CCNT1 (0.37) CDK9CCNT1GRM1GRM5HRH1
SCHEMBL985769 0.85 CDK9 (0.35) CDK9CCNT1GRM1GRM5KCNN4
SCHEMBL983191 0.85 CDK9 (0.35) CDK9CCNT1GRM1GRM5KCNN4
SCHEMBL983192 0.85 CDK9 (0.35) CDK9CCNT1GRM1GRM5KCNN4

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 NAMPT 3388/4885CDK9 288/4885CCNT1 1060/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885CDK9 288/4885CCNT1 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.