SCHEMBL4053455

SCHEMBL4053455

Cn1ccc2c3nc(-c4ccc(N)cc4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.52
PIK3CD O00329 3/20 0.50
PIK3CA P42336 12/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CG P48736 4/20 0.43
MAPK14 Q16539 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
GRIA1 P42261 1/20 0.41

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
SCHEMBL4059885 0.88 PIK3CA (0.54) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4052375 0.88 PIK3CA (0.54) MTORPIK3CDPIK3CAPIK3CGATR
SCHEMBL4050610 0.87 MTOR (0.57) MTORPIK3CAPIK3R1PIK3CGLMNA
SCHEMBL4056512 0.87 PIK3CA (0.64) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3124907 0.85 PIK3CA (0.58) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4057364 0.85 MTOR (0.72) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4048379 0.84 PIK3CA (0.53) MTORPIK3CDPIK3CAPIK3R1HDAC3
SCHEMBL4051175 0.84 MTOR (0.56) MTORPIK3CAPIK3R1PIK3CGMAPK14
SCHEMBL4048892 0.83 MTOR (0.49) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4056229 0.83 MTOR (0.65) MTORPIK3CAPIK3R1

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 1/4885PIK3CD 34/4885PIK3CA 19/4885

“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.