SCHEMBL12095366

SCHEMBL12095366

COc1nc(N2CCNCC2)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LCK P06239 11/20 0.37
TNK2 Q07912 11/20 0.37
KDR P35968 8/20 0.35
JAK3 P52333 6/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
ZAP70 P43403 1/20 0.35
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
MERTK Q12866 1/20 0.33
HTR2C P28335 1/20 0.33
TEK Q02763 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL1905820 0.93 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL1904913 0.91 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL14119262 0.90 AURKA (0.44) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL1905158 0.87 AURKA (0.41) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL1901363 0.86 BRD4 (0.38) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL1906512 0.85 AKT1 (0.41) AKT1AKT2
SCHEMBL1900006 0.85 EGFR (0.39) KDM4EALDH1A1HPGDHSD17B10TNK2
SCHEMBL14118969 0.84 CKS1B (0.42) KDM4EALDH1A1HPGDHSD17B10EGFR
SCHEMBL1900571 0.84 EGFR (0.38) KDM4EALDH1A1HPGDHSD17B10TNK2
SCHEMBL14118749 0.83 CD38 (0.40) KDM4EALDH1A1HPGDHSD17B10LCK

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 2 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

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 KDM4E 2856/4885ALDH1A1 4803/4885HPGD 3200/4885

“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.