SCHEMBL10445945

SCHEMBL10445945

CCC(CC)c1nc(C)c2c(N)nccn12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
TNK2 Q07912 7/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 2/20 0.38
BTK Q06187 1/20 0.35
TLR7 Q9NYK1 5/20 0.35
CRHR1 P34998 1/20 0.33
IGF1R P08069 2/20 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
SCHEMBL2618928 0.83 TNK2 (0.52) PDE1APDE1BPDE1CTNK2SRC
SCHEMBL6938371 0.76 TNK2 (0.52) TNK2SRCABL1BTKTLR7
SCHEMBL463424 0.75 BTK (0.50) TNK2SRCABL1BTKIGF1R
SCHEMBL13541945 0.72 BTK (0.39) TNK2SRCABL1BTKIGF1R
SCHEMBL8230097 0.70 TNK2 (0.33) TNK2SRCABL1TLR7
SCHEMBL13541946 0.70 TNK2 (0.52) TNK2SRCABL1BTKIGF1R
SCHEMBL19733424 0.70 TNK2 (0.49) TNK2SRCABL1BTKTLR7
SCHEMBL31244345 0.70 MTOR (0.46) TNK2SRCABL1IGF1R
SCHEMBL20962363 0.67 PIK3CD (0.32) SRCABL1
SCHEMBL23960263 0.67 BTK (0.46) TNK2SRCABL1BTKTLR7

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-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 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-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE1A 990/4885PDE1B 997/4885PDE1C 963/4885

“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.