SCHEMBL4049532

SCHEMBL4049532

Clc1nc(Cl)c2ccc3c(ccn3Cc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
HTR6 P50406 3/20 0.45
MPO P05164 1/20 0.42
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
APP P05067 1/20 0.40
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KCNA3 P22001 1/20 0.38
CYP19A1 P11511 3/20 0.38
KMT2A Q03164 1/20 0.38
TNF P01375 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL13694797 0.86 SLC2A1 (0.46) SLC2A1HTR6MPOKLKB1KLK1
SCHEMBL4057700 0.79 HRH3 (0.58) HTR6HRH3KMT2A
SCHEMBL18952051 0.78 HDAC1 (0.58) SLC2A1HDAC1HDAC2HRH3
SCHEMBL29258919 0.77 SLC2A1 (0.67) SLC2A1KLKB1KLK1
SCHEMBL4056885 0.74 SLC2A1 (0.44) SLC2A1HTR6MPOKLKB1KLK1
SCHEMBL32682410 0.74 SLC2A1 (0.46) SLC2A1HTR6MPOKLKB1KLK1
SCHEMBL4230599 0.73 DHFR (0.39)
SCHEMBL13494222 0.72 HTR6 (0.49) HTR6KMT2A
SCHEMBL12601683 0.72 HTR6 (0.50) SLC2A1HTR6KLKB1KLK1APP
SCHEMBL13495728 0.71

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 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
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
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 2272/4885MPO 3807/4885

“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.