SCHEMBL4237723

SCHEMBL4237723

COc1ccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
EGFR P00533 8/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
ERBB3 P21860 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ERBB4 Q15303 1/20 0.50
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
TNNI3K Q59H18 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
BRAF P15056 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 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
SCHEMBL4237718 0.84 THRB (0.55) THRBEGFRABCG2ERBB3TP53
SCHEMBL1387447 0.82 THRB (0.80) THRBEGFRABCG2KDM4EERBB4
SCHEMBL4239042 0.80 THRB (0.68) THRBEGFRABCG2KDM4EERBB4
SCHEMBL15533534 0.80 THRB (0.58) THRBEGFRABCG2ERBB3TP53
SCHEMBL374332 0.79 THRB (0.74) THRBEGFRABCG2KDM4EERBB4
SCHEMBL13777935 0.77 EGFR (0.72) EGFRERBB4MEN1KMT2AMAPT
SCHEMBL13778007 0.76 THRB (1.00) THRBEGFRABCG2KDM4EERBB4
SCHEMBL19420148 0.76 THRB (0.70) THRBEGFRABCG2KDM4EERBB4
SCHEMBL24749531 0.76 L3MBTL1 (0.50) THRBEGFRTP53KDM4ERAB9A
SCHEMBL13777936 0.75 EGFR (0.66) EGFRERBB4BRAFAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP disclosed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 THRB 461/4885EGFR 42/4885ABCG2 2465/4885

“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.