SCHEMBL1904145

SCHEMBL1904145

O=C(O)NC1(c2ccc(-c3oc4nc(NCCO)nc(NCCO)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.50
CHEK1 O14757 3/20 0.50
MAP2K1 Q02750 1/20 0.50
EGFR P00533 6/20 0.43
CDK1 P06493 1/20 0.40
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
LCK P06239 1/20 0.38
TNK2 Q07912 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 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
SCHEMBL1902927 0.95 AURKA (0.45) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1906145 0.94 AURKA (0.46) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1904186 0.91 AURKA (0.43) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1906860 0.89 AURKA (0.41) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL14118959 0.88 AURKA (0.41) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1903935 0.88 AURKA (0.41) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1901900 0.86 AURKA (0.41) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1905182 0.86 AURKA (0.41) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1903666 0.85 AURKA (0.53) AURKACHEK1MAP2K1EGFRCDK1
SCHEMBL1905442 0.85 ALDH1A1 (0.45) AURKACHEK1MAP2K1EGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AURKA 527/4885CHEK1 168/4885MAP2K1 459/4885

“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.