SCHEMBL1823795

SCHEMBL1823795

COc1ncc(-c2ccc3ncnc(Nc4ccc(-n5cncn5)cc4)c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.49
RAF1 P04049 13/20 0.49
LMNA P02545 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
USP2 O75604 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47
GRM1 Q13255 1/20 0.47
CD38 P28907 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 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
SCHEMBL1505994 0.87 RAF1 (0.58) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL29450569 0.87 RAF1 (0.58) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL1826622 0.85 BRAF (0.56) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL1823044 0.85 RAF1 (0.64) BRAFRAF1
SCHEMBL1823716 0.85 BRAF (0.71) BRAFRAF1
SCHEMBL13292198 0.83 BRAF (0.59) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL1825684 0.82 BRAF (0.52) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL1824255 0.82 EGFR (0.50) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL1821921 0.82 EGFR (0.50) BRAFRAF1MAPTCD38ALDH1A1
SCHEMBL4889795 0.80 MAPK1 (0.64) BRAFRAF1LMNACYP1A2CYP3A4

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 BRAF 2068/4885RAF1 1734/4885LMNA 4439/4885

“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.