SCHEMBL3570608

SCHEMBL3570608

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(O[C@H]3CCN(C4CCOCC4)C3)cc2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
SYK P43405 2/20 0.40
FGFR1 P11362 1/20 0.40
IGF1R P08069 3/20 0.39
ACACB O00763 4/20 0.38
TBK1 Q9UHD2 1/20 0.38
BRD4 O60885 1/20 0.38
ITK Q08881 1/20 0.38
CHEK1 O14757 1/20 0.37
NTRK2 Q16620 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL13313555 0.89 AURKB (0.44) AURKAAURKBSYKFGFR1IGF1R
SCHEMBL13313549 0.88 AURKB (0.48) EGFRAURKAAURKBSYKIGF1R
SCHEMBL3577176 0.84 AURKB (0.42) EGFRAURKAAURKBSYKIGF1R
SCHEMBL13313548 0.83 AURKA (0.44) EGFRAURKAAURKBSYKIGF1R
SCHEMBL3570365 0.81 IGF1R (0.42) AURKAAURKBSYKIGF1RTBK1
SCHEMBL3573656 0.81 IGF1R (0.42) AURKAAURKBSYKIGF1RTBK1
SCHEMBL4210144 0.78 FGFR1 (0.51) EGFRAURKAAURKBSYKFGFR1
SCHEMBL3578879 0.76 IGF1R (0.53) AURKAAURKBSYKIGF1RTBK1
SCHEMBL13313550 0.76 EGFR (0.47) EGFRAURKASYKACACBITK
SCHEMBL13313538 0.76 SYK (0.47) SYKFGFR1

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-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 EGFR 673/4885AURKA 2713/4885AURKB 1956/4885

“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.