SCHEMBL578664

SCHEMBL578664

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)O)cc2)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.54
KDR P35968 3/20 0.54
AURKA O14965 3/20 0.49
ALK Q9UM73 6/20 0.48
INSR P06213 5/20 0.48
SYK P43405 2/20 0.46
JAK2 O60674 2/20 0.44
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK3 P27361 1/20 0.44
LRRK2 Q5S007 2/20 0.43
GSK3B P49841 2/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL4281514 1.00 AURKB (0.54) AURKBKDRAURKAALKINSR
SCHEMBL4280244 0.90 AURKA (0.50) AURKBKDRAURKASYKLCK
SCHEMBL578939 0.90 AURKA (0.50) AURKBKDRAURKASYKLCK
SCHEMBL579158 0.86 PTK2 (0.57) AURKAALKJAK3GSK3BGSK3A
SCHEMBL13817628 0.86 AURKA (0.44) AURKBKDRAURKASYKLCK
SCHEMBL2526061 0.86 PTK2 (0.57) AURKAALKJAK3GSK3BGSK3A
SCHEMBL10149253 0.86 PTK2 (0.57) AURKAALKJAK3GSK3BGSK3A
SCHEMBL13817490 0.86 AURKA (0.44) AURKBKDRAURKASYKLCK
SCHEMBL13313530 0.86 KDR (0.51) AURKBKDRALKINSRSYK
SCHEMBL578750 0.84 SYK (0.50) AURKBKDRALKINSRSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 AURKB 1454/4885KDR 1793/4885AURKA 2076/4885

“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.