SCHEMBL4234986

SCHEMBL4234986

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.55
ABL1 P00519 5/20 0.53
BCR P11274 5/20 0.53
KDR P35968 1/20 0.51
THRB P10828 1/20 0.49
EGFR P00533 3/20 0.48
TNNI3K Q59H18 2/20 0.48
ERBB4 Q15303 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SYK P43405 3/20 0.44
ROCK1 Q13464 1/20 0.43
GPR52 Q9Y2T5 1/20 0.41

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
SCHEMBL4235267 0.96 AURKA (0.55) AURKAABL1BCRKDRTHRB
SCHEMBL4234991 0.85 THRB (0.54) KDRTHRBEGFRTNNI3KERBB4
SCHEMBL4239038 0.84 AURKA (0.70) AURKAABL1BCRTHRBEGFR
SCHEMBL4235274 0.83 THRB (0.57) AURKAKDRTHRBEGFRTNNI3K
SCHEMBL13777940 0.81 EGFR (0.74) AURKAKDRTHRBEGFRERBB4
SCHEMBL13777945 0.79 EGFR (0.74) AURKAKDRTHRBEGFRERBB4
SCHEMBL4239378 0.76 ABL1 (0.69) AURKAABL1BCRKDRTNNI3K
SCHEMBL4108901 0.72 ABL1 (0.58) ABL1BCRTHRBKDM4EMAPT
SCHEMBL690595 0.71 EGFR (0.55) KDRTHRBEGFRTNNI3KMAPT
SCHEMBL4237476 0.71 AURKA (1.00) AURKASYK

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 AURKA 43/4885ABL1 75/4885BCR 313/4885

“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.