SCHEMBL13313552

SCHEMBL13313552

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cccc(NC3CCN(CCF)C3)c2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.43
MARK3 P27448 2/20 0.43
MARK4 Q96L34 2/20 0.43
STK17A Q9UEE5 1/20 0.43
IGF1R P08069 4/20 0.42
EGFR P00533 4/20 0.41
ERBB2 P04626 1/20 0.41
ERBB3 P21860 1/20 0.41
ERBB4 Q15303 1/20 0.41
PDPK1 O15530 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 1/20 0.41
ITK Q08881 2/20 0.38
PTK2 Q05397 1/20 0.38
NUAK1 O60285 1/20 0.38
STK16 O75716 1/20 0.38
NTRK1 P04629 1/20 0.38
CSNK2A2 P19784 1/20 0.38
TYK2 P29597 1/20 0.38
BMPR2 Q13873 1/20 0.38

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
SCHEMBL13313551 0.88 IGF1R (0.42) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL13313554 0.84 KDR (0.49) AURKAAURKBALK
SCHEMBL3577176 0.83 AURKB (0.42) TBK1IGF1REGFRAURKAAURKB
SCHEMBL13313557 0.83 AURKB (0.44) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL4195275 0.82 INSR (0.40) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL4196715 0.82 INSR (0.41) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL13313535 0.82 IGF1R (0.48) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL13313561 0.81 BCL6 (0.42) EGFRAURKAAURKBITKALK
SCHEMBL13313560 0.80 AURKA (0.47) TBK1IGF1REGFRAURKAAURKB
SCHEMBL3568807 0.80 IGF1R (0.45) TBK1MARK3MARK4STK17AIGF1R

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 2 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

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 TBK1 3976/4885MARK3 4462/4885MARK4 3723/4885

“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.