SCHEMBL6426072

SCHEMBL6426072

COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPT P10636 3/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6426287 0.93 KMT2A (0.45) KMT2AMEN1TDP1TSHRHSD17B10
SCHEMBL5032378 0.89 KDR (0.48) KMT2AMEN1TDP1TSHRAURKA
SCHEMBL6428772 0.87 KDR (0.49) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL5032432 0.85 KDR (0.47) KMT2AMEN1AURKAAURKBNPC1
SCHEMBL6427891 0.83 MAPT (0.49) KMT2AMEN1HSD17B10AURKANPC1
SCHEMBL13927777 0.81 KDR (0.45) KMT2AAURKAAURKBKDM4EKDR
SCHEMBL6428757 0.80 AURKA (0.43) HSD17B10AURKAAURKBRAB9ASMN1; SMN2
SCHEMBL6426383 0.80 KDR (0.44) HSD17B10AURKAAURKBRAB9ASMN1; SMN2
SCHEMBL4159868 0.79 AURKA (0.64) KMT2AMEN1TDP1AURKAAURKB
SCHEMBL4159875 0.79 AURKA (0.64) KMT2AMEN1TDP1AURKAAURKB

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 3 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-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 KMT2A 810/4885MEN1 4415/4885TDP1 4520/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KMT2A 741/4885MEN1 4470/4885TDP1 4458/4885

“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.