SCHEMBL578929

SCHEMBL578929

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Br

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
SYK P43405 4/20 0.50
IGF1R P08069 3/20 0.45
PTK2 Q05397 2/20 0.44
JAK2 O60674 10/20 0.42
JAK1 P23458 10/20 0.42
PTK2B Q14289 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
SCHEMBL578928 1.00 AURKA (0.53) AURKAAURKBSYKIGF1RPTK2
SCHEMBL15359176 0.94 AURKA (0.50) AURKAAURKBSYKIGF1RPTK2
SCHEMBL4195377 0.93 AURKA (0.50) AURKAAURKBSYKIGF1RPTK2
SCHEMBL579033 0.92 SYK (0.51) AURKAAURKBSYKIGF1RPTK2
SCHEMBL579032 0.92 SYK (0.51) AURKAAURKBSYKIGF1RPTK2
SCHEMBL13808301 0.91 AURKA (0.59) AURKAAURKBSYKIGF1RPTK2
SCHEMBL578749 0.91 SYK (0.50) AURKBSYKPTK2JAK2JAK1
SCHEMBL578750 0.91 SYK (0.50) AURKBSYKPTK2JAK2JAK1
SCHEMBL578247 0.91 AURKA (0.61) AURKAAURKBSYKIGF1RPTK2
SCHEMBL579270 0.91 AURKA (0.57) AURKAAURKBSYKIGF1RPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP claimed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
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
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
WO-2007132010-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO 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 2076/4885AURKB 1454/4885SYK 3650/4885

“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.