SCHEMBL10172437

SCHEMBL10172437

Cc1ccnc2cc(-c3ccc(C4OCCO4)cn3)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KDM1A O60341 4/20 0.33
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
RAB9A P51151 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL106586 0.86 KDM1A (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL17993515 0.83 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL106882 0.81 KDM1A (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL19027249 0.81 CCR1 (0.44) RAB9AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL103259 0.76 MET (0.41)
SCHEMBL21383117 0.76 MST1R (0.37) KDM1A
SCHEMBL2539219 0.75 MET (0.36)
SCHEMBL21385824 0.74 MST1R (0.39) KDM1A
SCHEMBL13620009 0.73 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL171849 0.72 ADRA2B (0.32)

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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 CCNB2 1407/4885CDK1 119/4885CCNB1 861/4885

“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.