SCHEMBL4225232

SCHEMBL4225232

CN(C)CCn1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.48
MTOR P42345 8/20 0.45
HRH3 Q9Y5N1 3/20 0.44
HTR1D P28221 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2C P28335 1/20 0.39
SRC P12931 1/20 0.38
FLT3 P36888 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
SCHEMBL3122564 0.84 PIK3CA (0.63) PIK3CAMTORHRH3KDM4EALDH1A1
SCHEMBL4048379 0.82 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL4057900 0.82 SMN1; SMN2 (0.45) MTORHRH3KDM4EALDH1A1HPGD
SCHEMBL4049337 0.81 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL4057700 0.81 HRH3 (0.58) PIK3CAHRH3KDM4EALDH1A1HPGD
SCHEMBL4051692 0.80 HRH3 (0.43) PIK3CAMTORHRH3ALDH1A1HPGD
SCHEMBL4051823 0.80 PIK3CA (0.76) PIK3CAMTORFLT3
SCHEMBL4050346 0.78 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL4051874 0.78 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL4058673 0.78 PIK3CA (0.65) PIK3CAMTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CA 19/4885MTOR 1/4885HRH3 498/4885

“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.