SCHEMBL1355396

SCHEMBL1355396

Nc1ccc(Nc2ncc3cnn(C4CCc5c(O)cccc54)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.49
MARK3 P27448 4/20 0.49
MARK4 Q96L34 4/20 0.49
NUAK1 O60285 3/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
ABL1 P00519 2/20 0.49
KIT P10721 2/20 0.49
SRC P12931 2/20 0.49
MAPK14 Q16539 2/20 0.49
PIK3CD O00329 2/20 0.49
PIK3R1 P27986 2/20 0.49
SGK1 O00141 1/20 0.49
CHEK1 O14757 1/20 0.49
IKBKB O14920 1/20 0.49
MAPK13 O15264 1/20 0.49
CCNT1 O60563 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL27788599 0.92 MARK3 (0.44) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL27788598 0.87 MARK3 (0.39) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL1355460 0.86 MARK3 (0.52) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL1353985 0.85 JAK2 (0.52) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL1355849 0.84 AURKA (0.51) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL3587338 0.84 MARK3 (0.42) AURKBMARK3MARK4ABL1KIT
SCHEMBL3576056 0.84 MARK3 (0.42) AURKBMARK3MARK4ABL1KIT
SCHEMBL3585565 0.84 MARK3 (0.42) AURKBMARK3MARK4ABL1KIT
SCHEMBL1353913 0.82 MARK3 (0.41) AURKBMARK3MARK4NUAK1PRKAA2
SCHEMBL3580795 0.81 AURKA (0.63) AURKBMARK3MARK4NUAK1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
CN-101616921-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
CN-101616921-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKB 8/4885MARK3 232/4885MARK4 251/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B AURKB 6/4885MARK3 149/4885MARK4 181/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKB 8/4885MARK3 232/4885MARK4 251/4885

“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.