SCHEMBL10185302

SCHEMBL10185302

O=C(O)c1cnn2cc(-c3ccncn3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.46
KDR P35968 10/20 0.45
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE2A O00408 2/20 0.36
BMP4 P12644 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7618550 0.79 PRKAB2 (0.55) KDRFLT1FLT4MAPTBMP4
SCHEMBL7613778 0.78 KDR (0.73) KDRFLT1FLT4BMP4PRKAB1
SCHEMBL7618479 0.78 KDR (0.73) KDRFLT1FLT4BMP4PRKAB2
SCHEMBL13841953 0.77 ATR (0.45)
SCHEMBL30184324 0.77 KDR (0.56) KDRFLT1FLT4PDE2ABMP4
SCHEMBL10182942 0.76 KDR (0.43) KDRFLT1FLT4MAPTBMP4
SCHEMBL7617207 0.74 KDR (0.72) KDRFLT1FLT4MAPTALDH1A1
SCHEMBL7616715 0.72 KDR (0.75) KDRFLT1FLT4BMP4
SCHEMBL4474846 0.70 KDR (0.65) KDRFLT1FLT4ALDH1A1PDE2A
SCHEMBL7618714 0.70 KDR (0.74) KDRFLT1FLT4MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 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 (1 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CAMKK2 654/4885KDR 929/4885FLT1 1205/4885

“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.