SCHEMBL4166504

SCHEMBL4166504

COC(=O)Cc1ncc(O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
DPP4 P27487 4/20 0.42
HMGCR P04035 2/20 0.40
APP P05067 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
STAT3 P40763 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4168644 0.83 DPP4 (0.41) HSP90AB1DPP4HMGCRALDH1A1NPC1
SCHEMBL22557745 0.83 DPP4 (0.44) HSP90AB1DPP4HMGCRALDH1A1GAA
SCHEMBL14677488 0.81 HSP90AB1 (0.46) HSP90AB1HMGCRALDH1A1NPC1RAB9A
SCHEMBL30745351 0.81 HSP90AB1 (0.46) HSP90AB1HMGCRALDH1A1NPC1RAB9A
SCHEMBL28950531 0.79 HPGDS (0.43) DPP4ALDH1A1NPC1RAB9AMAPT
SCHEMBL30411409 0.79 HPGDS (0.43) DPP4ALDH1A1NPC1RAB9AMAPT
SCHEMBL22557892 0.78 PKM (0.47) ALDH1A1NPC1RAB9AGAASMN1; SMN2
SCHEMBL4502948 0.77 PDGFRB (0.53) ALDH1A1NPC1RAB9AGAASMN1; SMN2
SCHEMBL4173924 0.74 DGAT1 (0.44) HSP90AB1DPP4
SCHEMBL534151 0.72 MAPT (0.48) ALDH1A1NPC1RAB9AGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101437810-A Quinazoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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 (2 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS HSP90AB1 4059/4885DPP4 4326/4885HMGCR 2798/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 HSP90AB1 3865/4885DPP4 3528/4885HMGCR 2969/4885

“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.