SCHEMBL3574419

SCHEMBL3574419

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.39
KDR P35968 3/20 0.39
GRM4 Q14833 1/20 0.37
ADORA3 P0DMS8 7/20 0.36
ADORA1 P30542 5/20 0.36
ADORA2A P29274 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
SELP P16109 1/20 0.34
TYRO3 Q06418 1/20 0.34
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
AXL P30530 1/20 0.32
AURKA O14965 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL3566624 0.88 AURKB (0.38) AURKBKDRKMT2AMEN1SELP
SCHEMBL2061834 0.88 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL2061833 0.88 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL2061836 0.88 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL3580218 0.86 AURKB (0.39) AURKBKDRGRM4KMT2AMEN1
SCHEMBL3566625 0.86 GRM4 (0.43) AURKBKDRGRM4KMT2AMEN1
SCHEMBL2061164 0.85 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL2061160 0.85 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL2061162 0.85 KDR (0.49) AURKBKDRGRM4ADORA3ADORA1
SCHEMBL16057604 0.80 KMT2A (0.38) AURKBKDRKMT2AMEN1SELP

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 1956/4885KDR 2478/4885GRM4 2671/4885

“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.