SCHEMBL985769

SCHEMBL985769

Nc1ncc(C2=CCN(C(=O)[C@@H]3CCCN3)CC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.35
CCNT1 O60563 4/20 0.35
CCR4 P51679 2/20 0.34
TNK2 Q07912 1/20 0.33
KCNN4 O15554 3/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CDK2 P24941 2/20 0.32
CDK7 P50613 2/20 0.32
CDK6 Q00534 2/20 0.32
P2RX7 Q99572 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32
ADAM10 O14672 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
PARP1 P09874 3/20 0.31

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
SCHEMBL983191 1.00 CDK9 (0.35) CDK9CCNT1CCR4TNK2KCNN4
SCHEMBL983192 1.00 CDK9 (0.35) CDK9CCNT1CCR4TNK2KCNN4
SCHEMBL2076239 0.97 CDK9 (0.33) CDK9CCNT1CCR4TNK2KCNN4
SCHEMBL985846 0.97 CDK9 (0.33) CDK9CCNT1CCR4TNK2KCNN4
SCHEMBL983542 0.89 CCNT1 (0.37) CDK9CCNT1TNK2KCNN4GRM1
SCHEMBL983540 0.89 CCNT1 (0.37) CDK9CCNT1TNK2KCNN4GRM1
SCHEMBL987001 0.89 ALDH1A1 (0.38) CDK9CCNT1KCNN4GRM5GRM1
SCHEMBL987023 0.89 CDK9 (0.34) CDK9CCNT1TNK2KCNN4GRM5
SCHEMBL985816 0.88 NAMPT (0.42) CDK9CCNT1TNK2KCNN4GRM5
SCHEMBL985815 0.88 NAMPT (0.42) CDK9CCNT1TNK2KCNN4GRM5

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 11 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
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

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 CDK9 288/4885CCNT1 1060/4885CCR4 2847/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CDK9 288/4885CCNT1 1060/4885CCR4 2847/4885

“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.