SCHEMBL4050241

SCHEMBL4050241

O=S(=O)(c1ccccc1)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.47
MTOR P42345 1/20 0.46
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
PIK3CA P42336 1/20 0.42
MAT2A P31153 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4056388 0.85 MTOR (0.60) HTR6MTORPIK3CAMAT2AL3MBTL1
SCHEMBL4051833 0.81 PIK3CA (0.57) MTORPIK3CA
SCHEMBL4053416 0.81 MTOR (0.52) MTORPIK3CATSHR
SCHEMBL4051674 0.81 HRH3 (0.47) HTR6MTORHTR2APIK3CAHRH3
SCHEMBL13494222 0.80 HTR6 (0.49) HTR6HTR1ADRD2L3MBTL1HTR7
SCHEMBL4060041 0.79 PIK3CA (0.52) MTORPIK3CA
SCHEMBL4058625 0.78 PIK3CA (0.53) MTORPIK3CA
SCHEMBL4057700 0.78 HRH3 (0.58) HTR6PIK3CAMAT2APKMHRH3
SCHEMBL4057900 0.77 SMN1; SMN2 (0.45) MTORMAT2AL3MBTL1HRH3
SCHEMBL4054951 0.76 MTOR (0.46) HTR6MTORDRD2PIK3CATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO claimed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US claimed
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 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-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS MTOR, RICTOR, RPS6KA3 HTR6 2272/4885MTOR 1/4885HTR1A 1387/4885

“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.