SCHEMBL4889085

SCHEMBL4889085

COc1cccc2c(=O)n(-c3cc(NC(=O)O)ccc3C)cnc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
BTK Q06187 2/20 0.47
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRA2B P18089 1/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.41
MAPK1 P28482 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40

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
SCHEMBL4882095 0.81 BTK (0.48) MAPK14BTKNPC1ALDH1A1MAPT
SCHEMBL4888503 0.81 BRAF (0.57) MAPK14
SCHEMBL5212033 0.79 MAPK14 (0.48) MAPK14
SCHEMBL1140469 0.79 MAPK14 (0.61) MAPK14NPSR1
SCHEMBL4884817 0.71 TEK (0.53) MAPK14BTK
SCHEMBL4886681 0.69 BRAF (0.56) MAPK14
SCHEMBL11403522 0.69 TRPA1 (0.44) BTKNPC1ALDH1A1TRPA1
SCHEMBL11403526 0.69 TRPA1 (0.44) BTKNPC1ALDH1A1TRPA1
SCHEMBL11406646 0.68 TRPA1 (0.45) BTKNPC1TRPA1
SCHEMBL11406650 0.68 TRPA1 (0.45) BTKNPC1TRPA1

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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 MAPK14 153/4885BTK 19/4885NPC1 4502/4885

“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.