SCHEMBL1826544

SCHEMBL1826544

CCOc1ccc(-c2ccc3ncnc(Nc4ccc(-n5cncn5)cc4)c3c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
BRAF P15056 6/20 0.47
RAF1 P04049 5/20 0.47
AURKA O14965 2/20 0.47
FBP1 P09467 2/20 0.46
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL1821921 0.92 EGFR (0.50) EGFRBRAFRAF1FBP1ALDH1A1
SCHEMBL1826622 0.91 BRAF (0.56) EGFRBRAFRAF1USP2LMNA
SCHEMBL1824546 0.90 RAF1 (0.47) EGFRBRAFRAF1ERBB2ERBB4
SCHEMBL1822663 0.89 EGFR (0.47) EGFRBRAFRAF1ERBB2ERBB4
SCHEMBL1824255 0.86 EGFR (0.50) EGFRBRAFRAF1ERBB2ERBB4
SCHEMBL1824592 0.86 EGFR (0.43) EGFRBRAFRAF1ERBB2ERBB4
SCHEMBL1823752 0.85 EGFR (0.50) EGFRBRAFAURKAERBB2ERBB4
SCHEMBL1825395 0.84 EGFR (0.52) EGFRBRAFRAF1ERBB2ERBB4
SCHEMBL29450569 0.84 RAF1 (0.58) EGFRBRAFRAF1USP2LMNA
SCHEMBL1505994 0.84 RAF1 (0.58) EGFRBRAFRAF1USP2LMNA

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
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE EGFR 4285/4885BRAF 2068/4885RAF1 1734/4885

“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.