SCHEMBL3566624

SCHEMBL3566624

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.38
KDR P35968 3/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
KMT2A Q03164 2/20 0.34
SELP P16109 1/20 0.33
TYRO3 Q06418 1/20 0.33
MEN1 O00255 1/20 0.33
IGF1R P08069 2/20 0.32
BRD4 O60885 1/20 0.32
AXL P30530 1/20 0.31
AURKA O14965 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SYK P43405 1/20 0.31
INSR P06213 2/20 0.30
ALK Q9UM73 2/20 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
SCHEMBL3574419 0.88 AURKB (0.39) AURKBKDRABL1BCRKMT2A
SCHEMBL3577203 0.88 KDR (0.48) AURKBKDRKMT2ABRD4AXL
SCHEMBL4289850 0.87 KDR (0.38) AURKBKDRABL1KMT2ABRD4
SCHEMBL3575430 0.86 KMT2A (0.50) AURKBKDRKMT2ABRD4AXL
SCHEMBL3580218 0.84 AURKB (0.39) AURKBKDRABL1BCRKMT2A
SCHEMBL3566625 0.84 GRM4 (0.43) AURKBKDRKMT2ASELPTYRO3
SCHEMBL3581697 0.84 ULK1 (0.41) AURKBKDRKMT2A
SCHEMBL16057604 0.78 KMT2A (0.38) AURKBKDRABL1BCRKMT2A
SCHEMBL579065 0.77 KMT2A (0.49) AURKBABL1BCRKMT2AAXL
SCHEMBL22553562 0.76 KMT2A (0.40) ABL1BCRKMT2ASELPTYRO3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
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
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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 (2 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 1956/4885KDR 2478/4885ABL1 118/4885
US-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 AURKB 1454/4885KDR 1793/4885ABL1 519/4885

“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.