SCHEMBL4377456

SCHEMBL4377456

Cn1ccc2c3nc(Cl)nc(C4COCCN4)c3ccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
KCNH2 Q12809 1/20 0.32
MALT1 Q9UDY8 1/20 0.30
ACVR1 Q04771 1/20 0.30
PFKFB3 Q16875 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
SCHEMBL4230599 0.70 DHFR (0.39)
SCHEMBL11148032 0.61 CSNK1D (0.34) CSNK1DCSNK1EKCNH2ACVR1
SCHEMBL29334357 0.60 PRKACA (0.39) CSNK1DCSNK1EKCNH2MALT1ACVR1
SCHEMBL11142305 0.59 CSNK1D (0.36) CSNK1DCSNK1EKCNH2
SCHEMBL13694793 0.59 LMNA (0.48)
SCHEMBL28976231 0.58 CSNK1D (0.43) CSNK1DCSNK1EKCNH2
SCHEMBL38656209 0.57 CSNK1D (0.38) CSNK1DCSNK1EKCNH2MALT1ACVR1
SCHEMBL2944138 0.57 CHRNA7 (0.47) MALT1
SCHEMBL22589151 0.57 CHRNA7 (0.47) MALT1
SCHEMBL14839527 0.57 BCDIN3D (0.35) CSNK1DCSNK1EKCNH2

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 CSNK1D 283/4885CSNK1E 329/4885KCNH2 2582/4885

“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.