SCHEMBL4235274

SCHEMBL4235274

CN(c1cccc(N)c1)c1cc(Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ KDR P35968 1/20 0.51
▸ EGFR P00533 11/20 0.49
▸ TNNI3K Q59H18 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ERBB4 Q15303 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ IDH2 P48735 1/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL4234991 0.96 THRB (0.54) THRBKDREGFRTNNI3KKDM4E
SCHEMBL690055 0.85 EGFR (0.53) EGFRTNNI3KKDM4EMEN1MAPT
SCHEMBL4235267 0.85 AURKA (0.55) THRBKDREGFRTNNI3KKDM4E
SCHEMBL2778932 0.83 EGFR (0.53) KDREGFRTNNI3KKDM4EMEN1
SCHEMBL4234986 0.83 AURKA (0.55) THRBKDREGFRTNNI3KKDM4E
SCHEMBL4239042 0.82 THRB (0.68) THRBEGFRTNNI3KKDM4EERBB4
SCHEMBL13777945 0.80 EGFR (0.74) THRBKDREGFRKDM4EERBB4
SCHEMBL13777940 0.78 EGFR (0.74) THRBKDREGFRKDM4EERBB4
SCHEMBL1387447 0.77 THRB (0.80) THRBEGFRTNNI3KKDM4EERBB4
SCHEMBL13778007 0.73 THRB (1.00) THRBKDREGFRTNNI3KKDM4E

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 461/4885KDR 116/4885EGFR 42/4885

“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.

Send feedback