SCHEMBL15072735

SCHEMBL15072735

CC(C)N1CC2C[C@H]1CN2c1ccn(-c2cccc(N[C@@H](C)c3ccccc3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.36
MAP3K12 Q12852 1/20 0.34
BRD4 O60885 2/20 0.32
GAA P10253 1/20 0.32
IDH1 O75874 4/20 0.32
ELOVL1 Q9BW60 2/20 0.31
PLK1 P53350 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRNA7 P36544 1/20 0.30
KCNH2 Q12809 1/20 0.30
SYK P43405 1/20 0.30
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 1/20 0.30
ATP1A2 P50993 1/20 0.30
ATP1B3 P54709 1/20 0.30
FXYD2 P54710 1/20 0.30
ATP1A4 Q13733 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
SCHEMBL4094681 0.85 MAPK14 (0.36) MAP3K12IDH1PLK1
SCHEMBL13708552 0.70 MAPK14 (0.43) MAP3K12
SCHEMBL4092452 0.70 MAPK14 (0.43) MAP3K12
SCHEMBL19368143 0.69 MAP3K12 (0.39) MAP3K12GAACHRNA7KCNH2SYK
SCHEMBL4084908 0.67 PLK1 (0.42) IDH1PLK1
SCHEMBL4094807 0.67 PLK1 (0.42) IDH1PLK1
SCHEMBL4094651 0.67 PLK1 (0.42) IDH1PLK1
SCHEMBL15072210 0.67 CHRNB2 (0.45)
SCHEMBL4094679 0.65 PLK1 (0.48) PLK1
SCHEMBL4096056 0.65 PLK1 (0.41) PLK1

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-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 CASR 4238/4885MAP3K12 1518/4885BRD4 253/4885

“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.