Sugi Predict

Sugi Predict / Compounds / SCHEMBL4057900

SCHEMBL4057900

SCHEMBL4057900

Cn1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.43
▸ MTOR P42345 1/20 0.41
▸ PRKDC P78527 3/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ATR Q13535 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL13694793 0.86 LMNA (0.48) SMN1; SMN2MTORPRKDCFAAHMAPT
SCHEMBL4056388 0.82 MTOR (0.60) SMN1; SMN2HRH3MTORPRKDCMAT2A
SCHEMBL4225232 0.82 PIK3CA (0.48) SMN1; SMN2HRH3MTORKDM4EALDH1A1
SCHEMBL4053455 0.79 MTOR (0.52) MTORALDH1A1ATRHSD17B10ALOX15
SCHEMBL4057700 0.79 HRH3 (0.58) HRH3MAT2AMAPTKDM4EALDH1A1
SCHEMBL4056974 0.79 MTOR (0.42) MTORPRKDCALDH1A1HPGDATR
SCHEMBL4273866 0.78 MTOR (0.38) SMN1; SMN2MTORPRKDCFAAHMAPT
SCHEMBL4051692 0.78 HRH3 (0.43) SMN1; SMN2HRH3MTORMAT2AALDH1A1
SCHEMBL4050610 0.78 MTOR (0.57) MTORALDH1A1HSD17B10ALOX15
SCHEMBL4056512 0.78 PIK3CA (0.64) MTOR

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 6 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
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
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 SMN1; SMN2 2877/4885HRH3 498/4885MTOR 1/4885

“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.