SCHEMBL984332

SCHEMBL984332

CC(C)(C)c1ccnc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.52
NOS3 P29474 7/20 0.52
NOS1 P29475 4/20 0.37
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
BACE1 P56817 1/20 0.34
PRKCI P41743 1/20 0.34
NUDT1 P36639 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
DGAT1 O75907 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL4539853 0.80 NOS2 (0.56) NOS2NOS3NOS1F12PLAU
SCHEMBL27592575 0.80 NOS2 (0.40) NOS2NOS3NOS1F12PLAU
SCHEMBL15889710 0.78 NOS2 (0.39) NOS2NOS3NOS1F12PLAU
SCHEMBL18590248 0.78 ALOX5AP (0.39) NOS2NOS3NOS1F12PLAU
SCHEMBL157195 0.77 NOS3 (0.46) NOS2NOS3NOS1F12PLAU
SCHEMBL29435659 0.77 NOS3 (0.46) NOS2NOS3NOS1F12PLAU
SCHEMBL283791 0.73 NOS3 (0.52) NOS2NOS3NOS1BACE1KDM4E
SCHEMBL23566361 0.72 GLRA3 (0.43) NOS2NOS3PRKCIKDM4EKMT2A
SCHEMBL19119512 0.72 CA2 (0.39) KDM4EMEN1KMT2AALOX5APFEN1
SCHEMBL16154725 0.70 NOS3 (0.46) NOS2NOS3NOS1F12PLAU

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 NOS2 2664/4885NOS3 2861/4885NOS1 3230/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOS2 2664/4885NOS3 2861/4885NOS1 3230/4885

“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.