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SCHEMBL4056388

SCHEMBL4056388

CS(=O)(=O)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAT2A P31153 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ PRKDC P78527 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ATR Q13535 2/20 0.34

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
SCHEMBL4050241 0.85 HTR6 (0.47) MTORMAT2AHRH3L3MBTL1HTR6
SCHEMBL4057172 0.83 MTOR (0.79) MTORPIK3CA
SCHEMBL4057900 0.82 SMN1; SMN2 (0.45) MTORSMN1; SMN2MAT2AHRH3PRKDC
SCHEMBL4057364 0.81 MTOR (0.72) MTORALDH1A1ALOX15HSD17B10LMNA
SCHEMBL4055836 0.80 MTOR (0.65) MTORPIK3CA
SCHEMBL4053032 0.78 MTOR (0.65) MTORPRKDCLMNACYP1A2CYP3A4
SCHEMBL4051674 0.78 HRH3 (0.47) MTORHRH3HTR6PIK3CA
SCHEMBL4057856 0.78 MTOR (0.64) MTORPRKDCLMNACYP1A2CYP3A4
SCHEMBL4058302 0.77 MTOR (0.84) MTORPIK3CA
SCHEMBL4053948 0.77 MTOR (0.84) MTORPIK3CA

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 MTOR 1/4885SMN1; SMN2 2877/4885MAT2A 3827/4885

“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.