SCHEMBL4750071

SCHEMBL4750071

COc1ccc2c(Nc3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)ccc3C)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.57
MAPK14 Q16539 3/20 0.53
RAF1 P04049 8/20 0.49

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
SCHEMBL4746679 0.89 BRAF (0.71) BRAFMAPK14RAF1
SCHEMBL29459596 0.89 BRAF (0.71) BRAFMAPK14RAF1
SCHEMBL4747084 0.86 BRAF (0.57) BRAFMAPK14
SCHEMBL4750107 0.82 BRAF (0.66) BRAFRAF1
SCHEMBL4788091 0.81 BRAF (0.51) BRAFMAPK14
SCHEMBL5000815 0.80 BRAF (0.63) BRAFRAF1
SCHEMBL5004339 0.79 BRAF (0.62) BRAFRAF1
SCHEMBL4967069 0.79 BRAF (0.62) BRAFMAPK14RAF1
SCHEMBL4749211 0.79 BRAF (0.68) BRAFRAF1
SCHEMBL5000778 0.79 MAPK14 (0.73) BRAFMAPK14RAF1

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 8 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 claimed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO claimed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO 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 BRAF 1/4885MAPK14 104/4885RAF1 2/4885

“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.