SCHEMBL5032415

SCHEMBL5032415

CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.44
AURKB Q96GD4 6/20 0.44
KDR P35968 4/20 0.41
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PAX8 Q06710 1/20 0.35
FGFR1 P11362 2/20 0.35
LMNA P02545 1/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
ROCK2 O75116 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 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
SCHEMBL6426255 0.91 KDR (0.45) AURKAAURKBKDRFGFR1LMNA
SCHEMBL5030178 0.90 AURKA (0.44) AURKAAURKBKDRHPGDFGFR1
SCHEMBL5034350 0.87 CHEK1 (0.43) AURKAAURKBKDRFGFR1CSF1R
SCHEMBL6426129 0.86 KDR (0.47) AURKAAURKBKDRHTTKDM4E
SCHEMBL6426080 0.85 AURKA (0.45) AURKAAURKBKDRFGFR1LMNA
SCHEMBL5031114 0.84 AURKA (0.44) AURKAAURKBKDRFGFR1LMNA
SCHEMBL5034286 0.84 AURKA (0.44) AURKAAURKBKDRFGFR1CSF1R
SCHEMBL13927681 0.79 GSK3B (0.47) AURKAAURKBKDR
SCHEMBL4135771 0.79 AURKA (0.66) AURKAAURKBKDRKDM4EALDH1A1
SCHEMBL4135766 0.79 AURKA (0.66) AURKAAURKBKDRKDM4EALDH1A1

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 AURKA 726/4885AURKB 608/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885KDR 1044/4885

“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.