SCHEMBL4057700

SCHEMBL4057700

Clc1nc(N2CCOCC2)c2ccc3c(ccn3Cc3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
SRC P12931 1/20 0.43
FLT3 P36888 1/20 0.43
STAT6 P42226 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 3/20 0.41
MAT2A P31153 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTR6 P50406 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL4051692 0.84 HRH3 (0.43) HRH3SRCFLT3MAT2AALDH1A1
SCHEMBL4225232 0.81 PIK3CA (0.48) HRH3SRCFLT3KDM4EALDH1A1
SCHEMBL4051494 0.81 PIK3CA (0.59) PIK3CDPIK3CAPIK3CG
SCHEMBL4048744 0.81 PIK3CA (0.56) FLT3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4051674 0.79 HRH3 (0.47) HRH3HTR6PIK3CAPIK3CG
SCHEMBL4057900 0.79 SMN1; SMN2 (0.45) HRH3SRCFLT3HRH4KDM4E
SCHEMBL4049532 0.79 SLC2A1 (0.48) HRH3HTR6KMT2A
SCHEMBL4050241 0.78 HTR6 (0.47) HRH3MAT2APKMHTR6PIK3CA
SCHEMBL4056388 0.75 MTOR (0.60) HRH3KDM4EMAPTMAT2AALDH1A1
SCHEMBL2099733 0.73 CNR2 (0.66) HRH3HRH4PDE10AALDH1A1GAA

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 HRH3 498/4885SRC 725/4885FLT3 955/4885

“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.