SCHEMBL1900318

SCHEMBL1900318

Cn1c(N2CCNC(=O)C2)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.34
PTPN11 Q06124 8/20 0.34
LCK P06239 3/20 0.34
TNK2 Q07912 3/20 0.34
KDR P35968 2/20 0.33
JAK3 P52333 2/20 0.33
AURKA O14965 2/20 0.33
PDE2A O00408 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32

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
SCHEMBL14118683 0.91 AKT1 (0.39) FAPPTPN11LCKTNK2KDR
SCHEMBL1902096 0.89 PTPN11 (0.39) PTPN11LCKTNK2KDRJAK3
SCHEMBL1905949 0.86 AURKA (0.46) PTPN11LCKTNK2AURKA
SCHEMBL1904033 0.86 AURKA (0.37) PTPN11TNK2KDRAURKAPDE2A
SCHEMBL12095251 0.86 PTPN11 (0.38) PTPN11
SCHEMBL1904499 0.85 AURKA (0.42) PTPN11LCKTNK2AURKA
SCHEMBL14120192 0.84 CHEK1 (0.37) LCKTNK2KDRJAK3AURKA
SCHEMBL1902450 0.82 ALDH1A1 (0.35) TNK2KDRAURKAPDE2AKDM4E
SCHEMBL1904734 0.82 ALDH1A1 (0.36) TNK2KDRAURKAPDE2A
SCHEMBL14118880 0.81 SCN9A (0.36) LCKTNK2AURKAPDE2A

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 FAP 2798/4885PTPN11 1410/4885LCK 428/4885

“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.