SCHEMBL985805

SCHEMBL985805

Nc1ncc(C2=CCN(C(=O)c3ccncc3)CC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
GRM1 Q13255 3/20 0.35
GRM5 P41594 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 3/20 0.35
KCNN4 O15554 2/20 0.34
HRH1 P35367 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL986298 0.93 NAMPT (0.42) NAMPTALDH1A1HPGDCCNT1CDK9
SCHEMBL985675 0.90 CCNT1 (0.37) ALDH1A1HPGDCCNT1CDK9GRM1
SCHEMBL988378 0.89 ERN1 (0.40) CCNT1CDK9GRM1GRM5KCNN4
SCHEMBL987001 0.87 ALDH1A1 (0.38) NAMPTALDH1A1CCNT1CDK9GRM1
SCHEMBL986695 0.87 NAMPT (0.41) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL982752 0.87 GRM1 (0.39) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL987228 0.86 KCNN4 (0.35) ALDH1A1HPGDCCNT1CDK9GRM1
SCHEMBL984594 0.85 ERN1 (0.37) CCNT1CDK9GRM1GRM5KCNN4
SCHEMBL984990 0.85 NAMPT (0.38) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL987033 0.85 CDK9 (0.39) NAMPTCCNT1CDK9GRM1GRM5

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-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-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 NAMPT 3388/4885ALDH1A1 3864/4885HPGD 4628/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885ALDH1A1 3864/4885HPGD 4628/4885

“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.