SCHEMBL4811265

SCHEMBL4811265

Cc1cc2c(O)ccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.46
CHUK O15111 8/20 0.46
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
AURKB Q96GD4 1/20 0.42
AURKAIP1 Q9NWT8 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
ROCK1 Q13464 1/20 0.40
CIT O14578 5/20 0.40
MAP3K5 Q99683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
TRPA1 O75762 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL855607 0.80 IKBKB (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL30623086 0.78 IKBKB (0.43) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL1432081 0.78 IKBKB (0.43) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL29487177 0.77 AXL (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL31119539 0.77 IKBKB (0.47) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL29866409 0.77 PRKCI (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL1683422 0.77 SNCA (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL598894 0.77 PRKCI (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL1154194 0.77 AXL (0.48) IKBKBCHUKCCNKCDK12AURKB
SCHEMBL3201184 0.74 IKBKB (0.43) IKBKBCHUKCCNKCDK12PIK3C3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 IKBKB 328/4885CHUK 51/4885CCNK 295/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 IKBKB 511/4885CHUK 254/4885CCNK 279/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 IKBKB 328/4885CHUK 51/4885CCNK 295/4885

“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.