SCHEMBL4056885

SCHEMBL4056885

O=c1nc(Cl)c2ccc3c(ccn3Cc3ccccc3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
HTR6 P50406 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
PNP P00491 1/20 0.38
MAT2A P31153 1/20 0.37
MPO P05164 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL4049532 0.74 SLC2A1 (0.48) SLC2A1HTR6KLKB1KLK1MPO
SCHEMBL13694797 0.72 SLC2A1 (0.46) SLC2A1HTR6KLKB1KLK1MPO
SCHEMBL32682410 0.70 SLC2A1 (0.46) SLC2A1HTR6KLKB1KLK1MPO
SCHEMBL24499451 0.69 HTR6 (0.54) SLC2A1HTR6KDM4EALDH1A1HTT
SCHEMBL12601683 0.68 HTR6 (0.50) SLC2A1HTR6KDM4EKLKB1KLK1
SCHEMBL31518076 0.67 KCNA3 (0.50) SLC2A1HTR6KDM4EALDH1A1HTT
SCHEMBL1774558 0.67 HTR6 (0.49) SLC2A1HTR6KDM4EALDH1A1HPGD
SCHEMBL29696630 0.67 HTR6 (0.55) HTR6KDM4EALDH1A1HPGDHTT
SCHEMBL17111036 0.67 HTR6 (0.55) HTR6KDM4EALDH1A1HPGDHTT
SCHEMBL1716546 0.66 HDAC6 (0.64) SLC2A1HSP90AA1

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
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 SLC2A1 4634/4885HTR6 2272/4885KDM4E 1228/4885

“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.