SCHEMBL6804083

SCHEMBL6804083

CCO[C@H]1CCN(c2nc(C)nc3cc(-c4cc(F)ccc4N)ccc23)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
ENPP1 P22413 1/20 0.36
CHEK2 O96017 2/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM2 Q14416 1/20 0.34
DHFR P00374 1/20 0.34
NPY5R Q15761 2/20 0.33
PIK3CD O00329 1/20 0.33
OPRK1 P41145 2/20 0.33
CHRM4 P08173 2/20 0.32

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
SCHEMBL5485928 0.80 CCR4 (0.38) HRH4HRH3KCNH2ENPP1KDM4E
SCHEMBL5485932 0.80 CCR4 (0.38) HRH4HRH3KCNH2ENPP1KDM4E
SCHEMBL5485648 0.78 HRH4 (0.42) HRH4HRH3KCNH2ENPP1PDE10A
SCHEMBL5484986 0.78 ENPP1 (0.44) HRH4HRH3KCNH2ENPP1PDE10A
SCHEMBL5485646 0.78 HRH4 (0.42) HRH4HRH3KCNH2ENPP1PDE10A
SCHEMBL5484991 0.78 ENPP1 (0.44) HRH4HRH3KCNH2ENPP1PDE10A
Hydrochloric Acid SCHEMBL5485950 0.77 HRH4 (0.41) HRH4HRH3KCNH2ENPP1PDE10A
Hydrochloric Acid SCHEMBL5485955 0.77 HRH4 (0.41) HRH4HRH3KCNH2ENPP1PDE10A
SCHEMBL5486348 0.72 ENPP1 (0.43) ENPP1PDE10ACYP3A4NPY5R
SCHEMBL5486343 0.72 ENPP1 (0.43) ENPP1PDE10ACYP3A4NPY5R

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-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 HRH4 529/4885HRH3 1196/4885KCNH2 2426/4885

“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.