SCHEMBL3572574

SCHEMBL3572574

CCCNC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cccc(C=O)c2)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.50
PDPK1 O15530 4/20 0.50
MARK3 P27448 1/20 0.46
MARK4 Q96L34 1/20 0.46
STK17A Q9UEE5 1/20 0.46
IGF1R P08069 5/20 0.41
SYK P43405 2/20 0.40
PTK2 Q05397 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
ALK Q9UM73 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL3568807 0.87 IGF1R (0.45) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL1937577 0.78 SYK (0.50) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL3566465 0.78 PTK2 (0.57) TBK1PDPK1MARK3STK17AIGF1R
SCHEMBL3566625 0.77 GRM4 (0.43) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL1937543 0.77 SYK (0.50) TBK1PDPK1IGF1RSYKAURKA
SCHEMBL13313535 0.74 IGF1R (0.48) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL3569508 0.73 TBK1 (0.54) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL12234971 0.72 TBK1 (0.57) TBK1IGF1RSYKAURKAAURKB
SCHEMBL12235690 0.71 IGF1R (0.56) TBK1IGF1RSYKAURKAAURKB
SCHEMBL12235693 0.71 TBK1 (0.56) TBK1IGF1RSYKAURKAAURKB

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
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP 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 3976/4885PDPK1 2927/4885MARK3 4462/4885

“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.