SCHEMBL12590787

SCHEMBL12590787

N#Cc1c[nH]c2ncnc(C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHUK O15111 8/20 0.48
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
LRRK2 Q5S007 5/20 0.45
HSP90AB1 P08238 1/20 0.45
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
CDC42BPB Q9Y5S2 2/20 0.43
JAK3 P52333 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
IKBKB O14920 1/20 0.41

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
SCHEMBL12590786 0.84 MAP3K7 (0.51) CHUKMAP3K7TAB1LRRK2HSP90AB1
Toyocamycin Aglycone SCHEMBL7698538 0.78 MAP3K7 (0.54) CHUKMAP3K7TAB1LRRK2HSP90AB1
SCHEMBL12590783 0.76 NOTUM (0.56) LRRK2ROCK2ROCK1CDC42BPAJAK3
SCHEMBL21894377 0.76 LIMK1 (0.49) ROCK2ROCK1JAK3
Potassium SCHEMBL31133334 0.74 LIMK1 (0.48) ROCK2ROCK1JAK3
SCHEMBL28616421 0.74 LIMK1 (0.48) ROCK2ROCK1JAK3
SCHEMBL154683 0.73 CHUK (0.61) CHUKMAP3K7TAB1LRRK2HSP90AB1
SCHEMBL14649086 0.73 MAP3K7 (0.56) CHUKMAP3K7TAB1LRRK2HSP90AB1
SCHEMBL12590960 0.72 NOTUM (0.37) MAP3K7TAB1LRRK2ROCK2ROCK1
SCHEMBL9923381 0.72 LRRK2 (0.45) CHUKMAP3K7TAB1LRRK2HSP90AB1

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-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 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 (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-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF CHUK 104/4885MAP3K7 27/4885TAB1 637/4885

“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.