SCHEMBL578939

SCHEMBL578939

Cc1cnc(Nc2ccc(C(=O)O)cc2)nc1NC1CCCC1C(=O)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.50
JAK3 P52333 3/20 0.45
LCK P06239 2/20 0.45
SYK P43405 5/20 0.44
EGFR P00533 1/20 0.44
ITK Q08881 1/20 0.44
GSK3B P49841 3/20 0.43
GSK3A P49840 2/20 0.43
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
PTK2 Q05397 2/20 0.42
PTK2B Q14289 1/20 0.42
CHEK1 O14757 1/20 0.42
NTRK2 Q16620 1/20 0.42
BRD4 O60885 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL4280244 1.00 AURKA (0.50) AURKAJAK3LCKSYKEGFR
SCHEMBL578664 0.90 AURKB (0.54) AURKAJAK3LCKSYKGSK3B
SCHEMBL4281514 0.90 AURKB (0.54) AURKAJAK3LCKSYKGSK3B
SCHEMBL13817628 0.87 AURKA (0.44) AURKAJAK3LCKSYKGSK3B
SCHEMBL2526061 0.87 PTK2 (0.57) AURKAJAK3EGFRGSK3BGSK3A
SCHEMBL10149253 0.87 PTK2 (0.57) AURKAJAK3EGFRGSK3BGSK3A
SCHEMBL13817490 0.87 AURKA (0.44) AURKAJAK3LCKSYKGSK3B
SCHEMBL579158 0.87 PTK2 (0.57) AURKAJAK3EGFRGSK3BGSK3A
SCHEMBL579033 0.83 SYK (0.51) AURKAJAK3LCKSYKAURKB
SCHEMBL579032 0.83 SYK (0.51) AURKAJAK3LCKSYKAURKB

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 4 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
EP-2357181-A1 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases Boehringer Ingelheim International GmbH (DE) 2011-08-17 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 AURKA 2076/4885JAK3 3295/4885LCK 2296/4885

“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.