SCHEMBL1908151

SCHEMBL1908151

CSc1ncc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.37
NTRK1 P04629 1/20 0.37
RXFP1 Q9HBX9 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
AKT1 P31749 4/20 0.35
PDE2A O00408 2/20 0.34
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
CHEK1 O14757 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
SCHEMBL1905448 0.87 TACR3 (0.38) TACR3AKT1PDE2ACHEK1
SCHEMBL1904091 0.87 MEN1 (0.33) TACR3NTRK1RXFP1PDE2AMEN1
SCHEMBL1902848 0.84 TACR3 (0.37) TACR3AKT1PDE2AMAPTCHEK1
SCHEMBL1905401 0.84 TACR3 (0.36) TACR3KDM4ETSHRAKT1PDE2A
SCHEMBL1900652 0.82 AKT1 (0.50) AKT1
SCHEMBL1902380 0.82 EGFR (0.38) TACR3PDE2AMEN1KMT2ACHEK1
SCHEMBL14118444 0.82 CHEK1 (0.37) TACR3KDM4EPDE2ACHEK1
SCHEMBL1903999 0.82 AURKA (0.36) TACR3AKT1PDE2AMAPTCHEK1
SCHEMBL1905623 0.82 CHEK1 (0.39) TACR3AKT1CHEK1
SCHEMBL1904052 0.81 EGFR (0.37) TACR3KDM4EAKT1PDE2ACHEK1

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 TACR3 3761/4885NTRK1 3665/4885RXFP1 4339/4885

“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.