SCHEMBL3577176

SCHEMBL3577176

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.42
AURKA O14965 1/20 0.42
IGF1R P08069 2/20 0.41
EGFR P00533 5/20 0.40
ITK Q08881 1/20 0.40
SYK P43405 1/20 0.39
CAMK2D Q13557 1/20 0.39
TBK1 Q9UHD2 2/20 0.38
CHEK1 O14757 1/20 0.38
NTRK2 Q16620 1/20 0.38
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
RET P07949 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
FLT3 P36888 1/20 0.37
JAK3 P52333 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL13313548 0.92 AURKA (0.44) AURKBAURKAIGF1REGFRITK
SCHEMBL13313550 0.92 EGFR (0.47) AURKAEGFRITKSYKACACB
SCHEMBL13313549 0.91 AURKB (0.48) AURKBAURKAIGF1REGFRITK
SCHEMBL3570608 0.84 EGFR (0.43) AURKBAURKAIGF1REGFRITK
SCHEMBL13313552 0.83 TBK1 (0.43) AURKBAURKAIGF1REGFRITK
SCHEMBL3570365 0.82 IGF1R (0.42) AURKBAURKAIGF1RSYKTBK1
SCHEMBL3573656 0.82 IGF1R (0.42) AURKBAURKAIGF1RSYKTBK1
SCHEMBL13313554 0.80 KDR (0.49) AURKBAURKASYKKDR
SCHEMBL13313557 0.79 AURKB (0.44) AURKBAURKAIGF1RSYKTBK1
SCHEMBL13313547 0.79 ALDH1A1 (0.43)

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 4 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
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 AURKB 1956/4885AURKA 2713/4885IGF1R 180/4885

“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.