SCHEMBL1901101

SCHEMBL1901101

CN(C)c1nc(NCCO)nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.43
AURKA O14965 2/20 0.43
MAP2K1 Q02750 1/20 0.43
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
AKT1 P31749 14/20 0.38
AKT2 P31751 5/20 0.38
MEN1 O00255 1/20 0.38
CDK1 P06493 1/20 0.36

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
SCHEMBL1903597 0.88 AURKA (0.45) CHEK1AURKAMAP2K1AKT1AKT2
Hydrochloric Acid SCHEMBL1904810 0.88 AURKA (0.45) CHEK1AURKAMAP2K1AKT1AKT2
SCHEMBL1903666 0.87 AURKA (0.53) CHEK1AURKAMAP2K1KMT2ARAD52
SCHEMBL1901584 0.87 AURKA (0.48) CHEK1AURKAMAP2K1KMT2ARAD52
SCHEMBL14118959 0.86 AURKA (0.41) CHEK1AURKAMAP2K1KMT2ARAD52
SCHEMBL1901833 0.86 CHEK1 (0.43) CHEK1AURKAMAP2K1KMT2AAKT1
SCHEMBL1903977 0.86 AURKA (0.48) CHEK1AURKAMAP2K1KMT2ARAD52
SCHEMBL12095491 0.85 AURKA (0.44) CHEK1AURKAMAP2K1AKT1AKT2
Hydrochloric Acid SCHEMBL1904455 0.84 AURKA (0.43) CHEK1AURKAMAP2K1AKT1AKT2
SCHEMBL1906397 0.82 AKT1 (0.39) CHEK1AURKAMAP2K1KMT2ARAD52

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 7 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 claimed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP claimed
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
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
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 CHEK1 168/4885AURKA 527/4885MAP2K1 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.