SCHEMBL5485648

SCHEMBL5485648

CCOC1CCN(c2nc(C)nc3cc(Br)ccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.42
ENPP1 P22413 1/20 0.42
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
PDE10A Q9Y233 4/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADK P55263 1/20 0.34

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
SCHEMBL5485646 1.00 HRH4 (0.42) HRH4ENPP1TP53KDM4EMAPT
Hydrochloric Acid SCHEMBL5485955 0.99 HRH4 (0.41) HRH4ENPP1TP53KDM4EMAPT
Hydrochloric Acid SCHEMBL5485950 0.99 HRH4 (0.41) HRH4ENPP1TP53KDM4EMAPT
SCHEMBL5486946 0.87 HRH4 (0.44) HRH4ENPP1TP53HRH3KCNH2
SCHEMBL5486950 0.87 HRH4 (0.44) HRH4ENPP1TP53HRH3KCNH2
SCHEMBL5484986 0.87 ENPP1 (0.44) HRH4ENPP1KDM4EMAPTHRH3
SCHEMBL5484991 0.87 ENPP1 (0.44) HRH4ENPP1KDM4EMAPTHRH3
Hydrochloric Acid SCHEMBL5490214 0.86 HRH4 (0.44) HRH4ENPP1TP53HRH3KCNH2
Hydrochloric Acid SCHEMBL5490207 0.86 HRH4 (0.44) HRH4ENPP1TP53HRH3KCNH2
SCHEMBL5485932 0.81 CCR4 (0.38) HRH4ENPP1KDM4EHRH3KCNH2

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 4 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
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 HRH4 529/4885ENPP1 4421/4885TP53 4258/4885

“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.