SCHEMBL3424973

SCHEMBL3424973

CCC#CCN1C(=O)C(C)(C)c2cc3nc(N)[nH]c3cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
FABP6 P51161 1/20 0.36
CHEK1 O14757 1/20 0.33
SRC P12931 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TYMS P04818 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL2491924 0.89 AURKA (0.45) AURKAAURKBFABP6CHEK1SRC
SCHEMBL13367949 0.84 AURKA (0.47) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2491051 0.81 AURKA (0.41) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2487407 0.81 AURKA (0.64) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2489292 0.79 AURKA (0.53) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2491389 0.78 AURKA (0.33) AURKAAURKB
SCHEMBL13341619 0.77 NPC1 (0.44) RAF1BRAF
SCHEMBL3425001 0.77 AURKA (0.41) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2492581 0.77 AURKA (0.41) AURKAAURKBFABP6CHEK1SRC
SCHEMBL2513543 0.76 AURKA (0.50) AURKAAURKBFABP6CHEK1SRC

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-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 AURKA 268/4885AURKB 215/4885FABP6 2523/4885

“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.