SCHEMBL4149583

SCHEMBL4149583

COc1cc(C=Cc2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.64
AURKB Q96GD4 7/20 0.64
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
CA1 P00915 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
SCHEMBL4149579 1.00 AURKA (0.64) AURKAAURKBSMN1; SMN2MEN1KMT2A
SCHEMBL4159875 0.94 AURKA (0.64) AURKAAURKBSMN1; SMN2MEN1KMT2A
SCHEMBL4159868 0.94 AURKA (0.64) AURKAAURKBSMN1; SMN2MEN1KMT2A
SCHEMBL4148985 0.90 AURKA (0.68) AURKAAURKBMEN1KMT2ATDP1
SCHEMBL4148991 0.90 AURKA (0.68) AURKAAURKBMEN1KMT2ATDP1
SCHEMBL4144607 0.87 AURKA (0.71) AURKAAURKBMEN1KMT2APOLB
SCHEMBL4144612 0.87 AURKA (0.71) AURKAAURKBMEN1KMT2APOLB
SCHEMBL4136551 0.86 AURKA (0.67) AURKAAURKBSMN1; SMN2MEN1KMT2A
SCHEMBL4136557 0.86 AURKA (0.67) AURKAAURKBSMN1; SMN2MEN1KMT2A
SCHEMBL4153087 0.86 AURKA (0.69) AURKAAURKBMEN1KMT2APOLB

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 5 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-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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 608/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885SMN1; SMN2 3772/4885

“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.