SCHEMBL13633973

SCHEMBL13633973

Cc1ncnc2cc(F)cc(F)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
TRPA1 O75762 4/20 0.33
MAP4K4 O95819 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
AAK1 Q2M2I8 2/20 0.30

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
SCHEMBL24393065 0.78 EGFR (0.40) TRPA1KDR
SCHEMBL3521904 0.76 ALDH1A1 (0.36) MKNK1TRPA1MAP4K4AAK1
SCHEMBL30836076 0.76 ALDH1A1 (0.36) MKNK1TRPA1MAP4K4AAK1
SCHEMBL2778073 0.76 MAP4K4 (0.45) MAP4K4
SCHEMBL24188641 0.76 MAP4K4 (0.34) MKNK1MAP4K4KDR
SCHEMBL29728027 0.76 MAP4K4 (0.45) MAP4K4
SCHEMBL14521105 0.72 PARP1 (0.44) MKNK1ACHE
SCHEMBL21179488 0.72 BCHE (0.36) BCHEACHE
SCHEMBL30823293 0.72 BCHE (0.36) BCHEACHE
SCHEMBL17490355 0.71 AAK1 (0.42) AAK1

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
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO claimed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
US-8304417-B2 Crystalline forms of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline ASTRAZENECA AB (SE) 2012-11-06 US disclosed
US-20090099196-A1 Chemical Process ASTRAZENECA AB (SE) 2009-04-16 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-20090099196-A1 Chemical Process CYP3A5, CYP3A43, CYP3A7 MKNK1 351/4885TRPA1 3038/4885MAP4K4 234/4885

“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.