SCHEMBL1900566

SCHEMBL1900566

O=C(O)NC1(c2ccc(-c3oc4nc(N5CCNCC5)ncc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.37
TNK2 Q07912 7/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 7/20 0.36
HSD17B10 Q99714 6/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 6/20 0.35
CASP1 P29466 6/20 0.35
CASP7 P55210 6/20 0.35
HIF1A Q16665 5/20 0.35
CYP2C9 P11712 4/20 0.35
GLA P06280 3/20 0.35
CYP2C19 P33261 3/20 0.35
KDR P35968 5/20 0.35
JAK3 P52333 4/20 0.35
CYP3A4 P08684 5/20 0.35
USP2 O75604 4/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1900974 0.91 ALDH1A1 (0.41) LCKTNK2OPRM1OPRL1ALDH1A1
SCHEMBL14118682 0.90 AKT1 (0.41) LCKTNK2OPRM1OPRL1ALDH1A1
SCHEMBL1903305 0.84 AKT1 (0.46) AKT1
SCHEMBL12095366 0.82 KDM4E (0.37) LCKTNK2ALDH1A1HPGDHSD17B10
SCHEMBL14118620 0.82 CKS1B (0.47) OPRM1AKT1
SCHEMBL1905448 0.81 TACR3 (0.38) TNK2CYP3A4TACR3AKT1EGFR
SCHEMBL14119122 0.80 CKS1B (0.48) OPRM1AKT1
SCHEMBL1908151 0.80 TACR3 (0.37) KDM4ETACR3AKT1KMT2A
SCHEMBL1902848 0.79 TACR3 (0.37) TNK2TACR3AKT1
SCHEMBL1903999 0.78 AURKA (0.36) ALDH1A1HSD17B10ALOX15TACR3AKT1

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 LCK 428/4885TNK2 33/4885OPRM1 4000/4885

“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.