SCHEMBL5484986

SCHEMBL5484986

CCO[C@H]1CCN(c2nc(C)nc3cc(O)ccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.44
MAP2K7 O14733 5/20 0.41
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
RAD52 P43351 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5484991 1.00 ENPP1 (0.44) ENPP1MAP2K7CASP1CASP7HSD17B10
SCHEMBL5485646 0.87 HRH4 (0.42) ENPP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL5485648 0.87 HRH4 (0.42) ENPP1HSD17B10KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5485950 0.86 HRH4 (0.41) ENPP1HSD17B10KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL5485955 0.86 HRH4 (0.41) ENPP1HSD17B10KDM4EALDH1A1GAA
SCHEMBL5042661 0.82 ALDH1A1 (0.43) CASP1CASP7HSD17B10KDM4EALDH1A1
SCHEMBL5042666 0.82 ALDH1A1 (0.43) CASP1CASP7HSD17B10KDM4EALDH1A1
SCHEMBL5486348 0.82 ENPP1 (0.43) ENPP1PDE10APDE3BPDE3AMEN1
SCHEMBL5486343 0.82 ENPP1 (0.43) ENPP1PDE10APDE3BPDE3AMEN1
Hydrochloric Acid SCHEMBL5040355 0.81 ALDH1A1 (0.42) CASP1CASP7HSD17B10KDM4EALDH1A1

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-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 ENPP1 4421/4885MAP2K7 4227/4885CASP1 1304/4885

“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.