SCHEMBL5033485

SCHEMBL5033485

OC(c1ccccc1)c1ncc2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
QPCT Q16769 3/20 0.34
JAK2 O60674 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C8 P10632 3/20 0.33
CYP2C9 P11712 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
CYP2C19 P33261 3/20 0.33
JAK3 P52333 3/20 0.33
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL5033486 0.76 CDK2 (0.49) SLC2A1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL10602599 0.73 KDM4E (0.37) HPGDALDH1A1KDM4EGLAGAA
SCHEMBL8542827 0.73 HDAC6 (0.44) HPGDALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL4385774 0.73 SMN1; SMN2 (0.37) SLC2A1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5048186 0.72 CPA1 (0.51) ALDH1A1GAACYP1A2
SCHEMBL3578261 0.72 KDM4E (0.32) HPGDALDH1A1KDM4EGLAGAA
SCHEMBL14993000 0.72 KDM4E (0.32) HPGDALDH1A1KDM4EGLAGAA
SCHEMBL32674614 0.72 KDM4E (0.32) HPGDALDH1A1KDM4EGLAGAA
SCHEMBL2640834 0.71 APLNR (0.33)
SCHEMBL8741740 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 SLC2A1 618/4885HPGD 1452/4885ALDH1A1 3278/4885

“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.