SCHEMBL984432

SCHEMBL984432

Nc1ncc(C2=CCN(C(=O)C3CCOCC3)CC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.43
EED O75530 2/20 0.39
RBBP4 Q09028 2/20 0.39
SUZ12 Q15022 2/20 0.39
EZH2 Q15910 2/20 0.39
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 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
SCHEMBL985958 0.96 NAMPT (0.45) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL986509 0.96 NAMPT (0.45) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL987001 0.95 ALDH1A1 (0.38) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL985952 0.92 NAMPT (0.42) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL985481 0.91 CCNT1 (0.42) NAMPTJAK2JAK1
SCHEMBL986262 0.90 NAMPT (0.41) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL985191 0.90 NAMPT (0.36) NAMPTEEDRBBP4SUZ12EZH2
SCHEMBL985314 0.89 CCNT1 (0.40) NAMPTJAK2JAK1
SCHEMBL985675 0.88 CCNT1 (0.37) ALDH1A1
SCHEMBL986715 0.87 JAK2 (0.37) NAMPTJAK2JAK1

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 15 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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO 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 3388/4885EED 1751/4885RBBP4 1737/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885EED 1751/4885RBBP4 1737/4885

“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.