SCHEMBL13414062

SCHEMBL13414062

CCc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(N)=O)c4)c3)nc(N)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.46
RAF1 P04049 3/20 0.46
KDR P35968 2/20 0.45
P2RX3 P56373 4/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 5/20 0.41
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDC42BPA Q5VT25 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
SCHEMBL3117357 0.92 BRAF (0.45) BRAFRAF1P2RX3ROCK2ROCK1
SCHEMBL3123153 0.90 BRAF (0.47) BRAFRAF1ROCK2ROCK1PRKACA
SCHEMBL3123899 0.89 RAF1 (0.46) BRAFRAF1ROCK2ROCK1PRKACA
SCHEMBL3119170 0.89 SCN9A (0.48) BRAFRAF1P2RX3ROCK2ROCK1
SCHEMBL1644941 0.89 RAF1 (0.47) BRAFRAF1ROCK2ROCK1PRKACA
SCHEMBL3121173 0.89 RAF1 (0.42) BRAFRAF1P2RX3ROCK2ROCK1
SCHEMBL3109097 0.88 BRAF (0.53) BRAFRAF1ROCK2ROCK1
SCHEMBL3127591 0.88 BRAF (0.46) BRAFRAF1ROCK2ROCK1PRKACA
SCHEMBL3117289 0.87 BRAF (0.46) BRAFRAF1KDRROCK2ROCK1
SCHEMBL3121888 0.86 ROCK1 (0.53) BRAFRAF1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 BRAF 90/4885RAF1 183/4885KDR 1618/4885

“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.