SCHEMBL4966444

SCHEMBL4966444

COc1ccc2c(-c3c(N)ccc(C)c3N)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
EGFR P00533 6/20 0.42
ACHE P22303 2/20 0.42
TRPA1 O75762 1/20 0.40
KIT P10721 1/20 0.40
MAP4K4 O95819 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
SIK2 Q9H0K1 1/20 0.37
BCHE P06276 1/20 0.37
CHRM1 P11229 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SCN9A Q15858 1/20 0.36
FERMT2 Q96AC1 1/20 0.36

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
SCHEMBL4974935 0.83 KIT (0.58) EGFRACHEKITALDH1A1CLK1
SCHEMBL10975796 0.73 MAP4K4 (0.62) EGFRTRPA1MAP4K4CLK1HTR1A
SCHEMBL30658938 0.73 MAP4K4 (0.62) EGFRTRPA1MAP4K4CLK1HTR1A
Hydrochloric Acid SCHEMBL28185585 0.71 MAP4K4 (0.60) EGFRTRPA1MAP4K4ALDH1A1CYP3A4
SCHEMBL12143474 0.71 EGFR (0.55) TLR8EGFRTRPA1MAP4K4ALDH1A1
SCHEMBL16293850 0.68 SCN9A (0.48) TLR8EGFRTRPA1SIK2SCN9A
SCHEMBL13763602 0.68 TRPA1 (0.62) EGFRTRPA1MAP4K4HTR1AADRA1D
Hydrochloric Acid SCHEMBL1507569 0.68 KIT (0.46) EGFRACHEKITALDH1A1
SCHEMBL16311837 0.67 SCN9A (0.58) SCN9A
SCHEMBL3841526 0.67 HTR1A (0.58) TLR8ALDH1A1CYP3A4DYRK1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS TLR8 3805/4885EGFR 1237/4885ACHE 3252/4885

“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.