SCHEMBL984608

SCHEMBL984608

Cc1nnc(-c2cccnc2N)n1-c1cccc(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
AKT1 P31749 10/20 0.38
AKT2 P31751 4/20 0.38
AKT3 Q9Y243 3/20 0.37
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL987102 0.89 P2RX7 (0.43) NOTUMAKT1AKT2AKT3
SCHEMBL987134 0.86 NOTUM (0.38) NOTUMAKT1AKT2AKT3RXRA
SCHEMBL982287 0.81 GABRA1 (0.38) NOTUMAKT1RXRAGRIN1GRIN2B
SCHEMBL986522 0.79 P2RX7 (0.39) NOTUMAKT1AKT2AKT3RXRA
SCHEMBL987916 0.79 KCNN4 (0.52)
SCHEMBL987801 0.75 AKT1 (0.39) NOTUMAKT1AKT2AKT3
SCHEMBL983903 0.75 AKT1 (0.42) AKT1AKT2RXRAGRIN1GRIN2B
SCHEMBL982423 0.75 RXRA (0.39) NOTUMRXRAGRIN1GRIN2B
SCHEMBL984870 0.70 NOTUM (0.36) NOTUMRXRAGRIN1GRIN2BPDE4B
SCHEMBL987867 0.70 HCAR1 (0.33) AKT1RXRAGRIN1GRIN2B

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
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN 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-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-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
CN-101479255-A c-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA (US) 2009-07-08 CN disclosed
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 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
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 NOTUM 3643/4885AKT1 72/4885AKT2 157/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOTUM 3643/4885AKT1 72/4885AKT2 157/4885

“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.