SCHEMBL5032310

SCHEMBL5032310

O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
MAPK10 P53779 3/20 0.38
AURKA O14965 4/20 0.37
POLB P06746 1/20 0.37
AURKB Q96GD4 3/20 0.36
GSK3B P49841 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK8 P45983 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ULK1 O75385 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL6426066 0.92 MAPK10 (0.42) KDRMAPK10AURKAAURKBGSK3B
SCHEMBL6428692 0.90 KDR (0.41) KDRMAPK10AURKAPOLBAURKB
SCHEMBL6427863 0.90 AURKA (0.41) KDRMAPK10AURKAPOLBAURKB
SCHEMBL13927861 0.90 KDR (0.44) KDRAURKAAURKBGSK3BMAPT
SCHEMBL5031150 0.87 KDR (0.42) KDRMAPK10AURKAAURKBGSK3B
SCHEMBL5029994 0.83 KDR (0.56) KDRMAPK10AURKAPOLBAURKB
SCHEMBL13927694 0.81 GSK3B (0.47) KDRAURKAAURKBGSK3BMAPT
SCHEMBL4140519 0.80 AURKA (0.46) KDRAURKAAURKBGSK3B
SCHEMBL4140514 0.80 AURKA (0.46) KDRAURKAAURKBGSK3B
SCHEMBL5030083 0.80 KDR (0.42) KDRMAPK10AURKAAURKBGSK3B

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDR 932/4885MAPK10 80/4885AURKA 726/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885MAPK10 92/4885AURKA 710/4885

“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.