SCHEMBL986298

SCHEMBL986298

Nc1ncc(C2=CCN(C(=O)c3cccnc3)CC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
KDR P35968 2/20 0.37
GRM1 Q13255 3/20 0.36
GRM5 P41594 2/20 0.36
CHEK2 O96017 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HRH1 P35367 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
PKM P14618 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
SCHEMBL985805 0.93 NAMPT (0.39) NAMPTCCNT1CDK9HPGDALDH1A1
SCHEMBL985675 0.88 CCNT1 (0.37) CCNT1CDK9HPGDALDH1A1GRM1
SCHEMBL988378 0.87 ERN1 (0.40) CCNT1CDK9GRM1GRM5HRH1
SCHEMBL987001 0.85 ALDH1A1 (0.38) NAMPTCCNT1CDK9ALDH1A1GRM1
SCHEMBL986695 0.85 NAMPT (0.41) NAMPTCCNT1CDK9POLBGRM1
SCHEMBL982752 0.85 GRM1 (0.39) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL987228 0.84 KCNN4 (0.35) CCNT1CDK9HPGDALDH1A1GRM1
SCHEMBL984594 0.83 ERN1 (0.37) CCNT1CDK9GRM1GRM5HRH1
SCHEMBL984990 0.83 NAMPT (0.38) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL987033 0.83 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 14 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
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
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 3388/4885CCNT1 1060/4885CDK9 288/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885CCNT1 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.