SCHEMBL3598566

SCHEMBL3598566

O=S(=O)(c1ccccc1)n1ccc2c(-c3cc(N4CCOCC4)nc(CCNc4ccc(C(F)(F)F)cn4)n3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
PIK3CA P42336 3/20 0.39
PIK3R1 P27986 2/20 0.39
RAF1 P04049 6/20 0.38
BRAF P15056 6/20 0.38
ATR Q13535 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL3608929 0.81 HTR6 (0.49) HTR6PIK3CAATRATRIP
SCHEMBL3612958 0.79 PIK3CA (0.45) PIK3CAPIK3R1ATRATRIP
SCHEMBL3602620 0.79 AKT1 (0.44) HTR6RAF1BRAFATRATRIP
SCHEMBL14042660 0.64 ATR (0.42) PIK3CAATRALDH1A1LMNA
SCHEMBL16990360 0.61 TDO2 (0.52) HTR6PIK3CAALDH1A1
SCHEMBL28313371 0.61 HTR6 (0.59) HTR6
SCHEMBL15757698 0.60 HTR6 (0.54) HTR6ALDH1A1LMNA
SCHEMBL3620801 0.60 HTR6 (0.66) HTR6ALDH1A1LMNA
SCHEMBL16796479 0.59 HTR6 (0.75) HTR6
SCHEMBL2432960 0.59 HTR6 (0.64) HTR6ALDH1A1LMNA

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 HTR6 1760/4885PIK3CA 1/4885PIK3R1 5/4885

“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.