SCHEMBL1901112

SCHEMBL1901112

Cn1c(NCCO)nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MAP2K1 Q02750 1/20 0.43
AKT1 P31749 17/20 0.41
AKT2 P31751 10/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 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
Hydrochloric Acid SCHEMBL14119158 0.99 CHEK1 (0.42) CHEK1AURKAMAP2K1AKT1AKT2
SCHEMBL1904665 0.90 AKT1 (0.40) AKT1AKT2
SCHEMBL1903240 0.90 AKT1 (0.43) AKT1AKT2SYK
SCHEMBL1901920 0.90 AURKA (0.41) CHEK1AURKAMAP2K1AKT1AKT2
SCHEMBL1906685 0.89 AKT1 (0.39) CHEK1AKT1AKT2
SCHEMBL14118931 0.88 AKT1 (0.41) CHEK1AURKAMAP2K1AKT1AKT2
SCHEMBL1902277 0.88 AURKA (0.46) AURKAAKT1AKT2
SCHEMBL1901289 0.88 AURKA (0.46) AURKAAKT1AKT2
SCHEMBL1901287 0.88 AURKA (0.46) AURKAAKT1AKT2
SCHEMBL1900461 0.88 KDM4E (0.43) CHEK1AURKAMAP2K1AKT1AKT2

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 8 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
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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.