SCHEMBL4051844

SCHEMBL4051844

Cn1ccc2c3nc(-c4cccc5[nH]ccc45)nc(C4COCCN4)c3ccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.45
BRAF P15056 1/20 0.42
ATRIP Q8WXE1 6/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 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
SCHEMBL4049918 0.78 PIK3CA (0.56) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL4377456 0.77 CSNK1D (0.32)
SCHEMBL24812436 0.65 ATR (0.56) ATRBRAFATRIP
SCHEMBL4055681 0.64 PIK3CA (0.59) ATRPIK3R1PIK3CAMTORPRKDC
SCHEMBL21263052 0.62 ATR (0.75) ATRATRIPPIK3R1PIK3CAMTOR
SCHEMBL21263177 0.62 ATR (0.75) ATRATRIPPIK3R1PIK3CAMTOR
SCHEMBL20798255 0.61 ATR (0.73) ATRATRIPPIK3R1PIK3CAMTOR
SCHEMBL30629304 0.61 ATR (0.73) ATRATRIPPIK3R1PIK3CAMTOR
SCHEMBL24811619 0.61 ATR (0.70) ATRBRAFATRIP
SCHEMBL7907534 0.61 ATR (0.80) ATRATRIPPIK3R1PIK3CAMTOR

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 ATR 538/4885BRAF 155/4885ATRIP 1082/4885

“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.