SCHEMBL3115014

SCHEMBL3115014

COc1ccc(CNc2nc(NCCNC(=O)OCc3ccccc3)nc3ccc(OC)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.52
TBXAS1 P24557 2/20 0.52
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
CTNNB1 P35222 2/20 0.50
TCF7L2 Q9NQB0 2/20 0.50
EGFR P00533 1/20 0.50
SLC2A1 P11166 1/20 0.50
GSR P00390 1/20 0.47
APP P05067 4/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
TACR3 P29371 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45

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
SCHEMBL3125240 0.90 CTNNB1 (0.55) PDE5ATBXAS1PDE3BPDE3ACTNNB1
SCHEMBL3120956 0.85 CTNNB1 (0.51) PDE5ATBXAS1PDE3BPDE3ACTNNB1
SCHEMBL3114944 0.84 CTNNB1 (0.56) PDE5ATBXAS1PDE3BPDE3ACTNNB1
SCHEMBL3115022 0.82 TUBB4A (0.51) EGFRGSRTACR3HDAC3HDAC4
SCHEMBL2590386 0.82 EGFR (0.70) PDE5ATBXAS1PDE3BPDE3ACTNNB1
SCHEMBL3106463 0.80 CCNE2 (0.58) PDE5ATBXAS1PDE3BPDE3ACTNNB1
SCHEMBL3119451 0.79 CTNNB1 (0.54) CTNNB1TCF7L2SLC2A1APPACHE
SCHEMBL3119112 0.79 APP (0.61) EGFRSLC2A1APPBCHEACHE
SCHEMBL3116080 0.78 APP (0.57) EGFRSLC2A1APPACHESMN1; SMN2
SCHEMBL3125281 0.77 APP (0.59) CTNNB1TCF7L2EGFRSLC2A1APP

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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US claimed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 PDE5A 2513/4885TBXAS1 532/4885PDE3B 1392/4885

“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.