SCHEMBL4238979

SCHEMBL4238979

FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.67
THRB P10828 1/20 0.62
KIF11 P52732 1/20 0.60
PHGDH O43175 1/20 0.54
IDH2 P48735 2/20 0.54
BRAF P15056 1/20 0.54
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
KDR P35968 1/20 0.52
EGFR P00533 1/20 0.50
ERBB4 Q15303 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL26186324 0.91 AURKA (0.60) AURKATHRBKIF11PHGDHIDH2
SCHEMBL1518750 0.89 AURKA (0.65) AURKATHRBKIF11PHGDHIDH2
SCHEMBL27112491 0.86 AURKA (0.62) AURKATHRBKIF11PHGDHIDH2
SCHEMBL30847438 0.86 AURKA (0.62) AURKATHRBKIF11PHGDHIDH2
SCHEMBL30128849 0.84 CTSC (0.65) AURKATHRBKIF11IDH2KDM4E
SCHEMBL4656669 0.84 CTSC (0.65) AURKATHRBKIF11IDH2KDM4E
SCHEMBL26186625 0.84 AURKA (0.59) AURKATHRBKIF11PHGDHIDH2
SCHEMBL1387447 0.83 THRB (0.80) AURKATHRBKIF11IDH2KDM4E
SCHEMBL12590957 0.83 AURKA (0.58) AURKATHRBKIF11PHGDHKDM4E
SCHEMBL394991 0.82 KIF11 (0.70) AURKATHRBKIF11IDH2KDM4E

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
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
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 43/4885THRB 461/4885KIF11 1223/4885

“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.