SCHEMBL10183027

SCHEMBL10183027

CC(C)(C)c1cn(-c2ccncc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
KIF11 P52732 2/20 0.34
PTK2 Q05397 1/20 0.33
CPB2 Q96IY4 2/20 0.33
CPB1 P15086 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11954983 0.83 NPC1 (0.41) CYP2E1CYP2A6PTK2CPB2CPB1
SCHEMBL2630637 0.83 PTK2 (0.44) CYP2E1CYP2A6PTK2CPB2CPB1
SCHEMBL27642937 0.81 GCGR (0.36) CYP2E1CYP2A6KIF11CYP1A2CYP2C19
SCHEMBL19625448 0.80 MAP4K4 (0.42) PTK2CPB2CPB1CYP1A2CYP3A4
SCHEMBL31096451 0.78 NOS3 (0.38) CYP2E1CYP2A6PTK2CPB2CPB1
SCHEMBL21818895 0.78 RECQL (0.32) CYP2E1CYP2A6PTK2
SCHEMBL21819076 0.78 NOS3 (0.38) CYP2E1CYP2A6PTK2CPB2CPB1
SCHEMBL31096450 0.78 RECQL (0.32) CYP2E1CYP2A6PTK2
SCHEMBL3953088 0.76 EP300 (0.46) CYP2A6KIF11CPB2CPB1CYP1A2
SCHEMBL22199024 0.75 CYP2E1 (0.62) CYP2E1CYP2A6PTK2MAPK13CYP1A2

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 1 patent. 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

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 CYP2E1 1620/4885CYP2A6 2778/4885KIF11 3648/4885

“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.