SCHEMBL14118751

SCHEMBL14118751

O=C(O)NC1(c2ccc(-c3oc4ncc(-c5cncnc5)nc4c3-c3ccccc3)cc2)CCC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.34
AKT1 P31749 4/20 0.32
PDE2A O00408 4/20 0.32
ATR Q13535 1/20 0.32
CHEK1 O14757 1/20 0.31
SCN9A Q15858 2/20 0.31
EGFR P00533 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL12095412 0.95 TACR3 (0.38) TACR3AKT1PDE2ACHEK1SCN9A
SCHEMBL14118904 0.94 TACR3 (0.37) TACR3AKT1PDE2AATRCHEK1
SCHEMBL12095444 0.90 AKT1 (0.35) TACR3AKT1PDE2ASCN9AAKT2
SCHEMBL14118537 0.89 PDE2A (0.34) TACR3AKT1PDE2ACHEK1SCN9A
SCHEMBL12095367 0.89 ROCK2 (0.38) TACR3AKT1PDE2AAKT2
SCHEMBL14118957 0.89 TACR3 (0.41) TACR3AKT1PDE2ACHEK1SCN9A
SCHEMBL14119220 0.88 AKT1 (0.34) TACR3AKT1CHEK1AKT2
SCHEMBL1900984 0.87 AKT1 (0.40) TACR3AKT1PDE2AATRSCN9A
SCHEMBL14119065 0.86 HDAC1 (0.33) TACR3AKT1PDE2ACHEK1AKT2
SCHEMBL12095518 0.86 AKT1 (0.34) TACR3AKT1PDE2AAKT2

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 1 patent. 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

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 3761/4885AKT1 1/4885PDE2A 2363/4885

“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.