SCHEMBL4113998

SCHEMBL4113998

CCCCCc1nccc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORD Q00796 10/20 0.48
OGA O60502 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
PIK3CA P42336 3/20 0.43
PIK3CD O00329 2/20 0.43
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41

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
SCHEMBL14554006 0.90 SORD (0.51) SORDOGAKMT2AMEN1USP2
SCHEMBL14553999 0.84 SORD (0.54) SORDOGAKMT2AMEN1USP2
SCHEMBL3640716 0.83 HRH3 (0.52) SORDUSP2ALDH1A1CYP1A2HSD17B10
SCHEMBL2616799 0.81 SORD (0.51) SORDHRH4
SCHEMBL28125284 0.80 HRH4 (0.63) SORDUSP2ALDH1A1CYP1A2ALOX15
SCHEMBL6224825 0.79 HRH3 (0.54) SORDUSP2ALDH1A1CYP1A2HSD17B10
SCHEMBL14525065 0.79 SORD (0.49) SORDHRH4
SCHEMBL27693708 0.78 SORD (0.54) SORDOGAKMT2AMEN1USP2
SCHEMBL4724828 0.78 SORD (0.78) SORD
SCHEMBL3665897 0.78 KMT2A (0.42) KMT2AALDH1A1CYP1A2TSHRHSD17B10

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
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US disclosed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD SORD 1255/4885OGA 4507/4885KMT2A 2655/4885

“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.