SCHEMBL4051240

SCHEMBL4051240

CC1(C)OB(c2ccccc2N(C(N)=O)c2ccncc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 7/20 0.35
F11 P03951 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
P4HB P07237 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL6799472 0.71 F11 (0.46) F11P4HBLPLLIPGF2
SCHEMBL9995173 0.70 TSPO (0.42) LIPEP4HBLPLLIPGCXCR2
SCHEMBL5474563 0.70 NPSR1 (0.50) KDM4EKMT2A
SCHEMBL12538101 0.68 LPL (0.43) KDM4EP4HBLPLLIPG
SCHEMBL31023154 0.68 ALDH1A1 (0.41) LIPEF11KDM4EP4HBLPL
SCHEMBL20110477 0.68 LPL (0.43) KDM4EKMT2AP4HBLPLLIPG
SCHEMBL3076866 0.68 ALDH1A1 (0.41) LIPEF11KDM4EP4HBLPL
SCHEMBL2157168 0.67 LIPG (0.37) LIPEF11KMT2AP4HBLPL
SCHEMBL17967601 0.66 ROCK2 (0.39) LIPEF11KDM4EP4HBF2
SCHEMBL29266820 0.66 ROCK2 (0.43) LIPEF11KDM4EF2PRSS1

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 LIPE 4441/4885F11 4345/4885KDM4E 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.