SCHEMBL4244844

SCHEMBL4244844

Cc1ccc(C(=O)O)cc1Nc1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.61
▸ RAF1 P04049 1/20 0.57
▸ YES1 P07947 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK14 Q16539 11/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ AKR1C3 P42330 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15939192 0.90 BRAF (0.60) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL4164155 0.88 BRAF (0.65) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL20133847 0.84 BRAF (0.69) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL4166506 0.83 BRAF (0.64) BRAFRAF1YES1KDM4EMAPK14
Hydrochloric Acid SCHEMBL15939103 0.82 BRAF (0.63) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL29606390 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4181343 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27682671 0.81 MAPK14 (0.69) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL27682670 0.80 BRAF (0.69) BRAFRAF1YES1KDM4EMAPK14
SCHEMBL4242038 0.80 BRAF (0.64) BRAFRAF1YES1KDM4EMAPK14

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
US-20090170849-A1 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2009-07-02 — — US disclosed
CN-101415688-A Quinazolone derivative with B-RAF inhibition activity ASTRAZENECA AB (SE) 2009-04-22 — — CN disclosed
EP-2007737-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-31 — — EP disclosed
WO-2007113558-A2 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2007-10-11 — — 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-20090170849-A1 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY BRAF, ARAF, RAF1 BRAF 1/4885RAF1 3/4885YES1 941/4885

“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.

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