SCHEMBL987228

SCHEMBL987228

Nc1ncc(C2=CCN(C(=O)O)CCC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.35
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
GRM1 Q13255 6/20 0.33
GRM5 P41594 4/20 0.33
GRIN2B Q13224 1/20 0.33
HRH1 P35367 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL985675 0.96 CCNT1 (0.37) KCNN4CCNT1CDK9GRM1GRM5
SCHEMBL984594 0.93 ERN1 (0.37) KCNN4CCNT1CDK9GRM1GRM5
SCHEMBL985370 0.92 KCNN4 (0.34) KCNN4CCNT1CDK9GRM1GRM5
SCHEMBL986714 0.89 GRM5 (0.48) CDK9GRM1GRM5
SCHEMBL988378 0.89 ERN1 (0.40) KCNN4CCNT1CDK9GRM1GRM5
SCHEMBL985846 0.87 CDK9 (0.33) KCNN4CCNT1CDK9
SCHEMBL2076239 0.87 CDK9 (0.33) KCNN4CCNT1CDK9
SCHEMBL987001 0.87 ALDH1A1 (0.38) KCNN4CCNT1CDK9GRM1GRM5
SCHEMBL985952 0.87 NAMPT (0.42) CCNT1CDK9GRM5
SCHEMBL986695 0.86 NAMPT (0.41) KCNN4CCNT1CDK9GRM1GRM5

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 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
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

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 KCNN4 4013/4885CCNT1 1060/4885CDK9 288/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KCNN4 4013/4885CCNT1 1060/4885CDK9 288/4885

“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.