SCHEMBL5032428

SCHEMBL5032428

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cn1)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.47
NPC1 O15118 12/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
TP53 P04637 4/20 0.45
PKM P14618 3/20 0.45
MAPK1 P28482 2/20 0.44
MAPK14 Q16539 1/20 0.43
MAPT P10636 3/20 0.43
AURKA O14965 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 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
SCHEMBL6428772 0.85 KDR (0.49) RAB9ANPC1SMN1; SMN2AURKAALDH1A1
SCHEMBL4136314 0.83 KDR (0.46) RAB9AMAPK1AURKA
SCHEMBL4136307 0.83 KDR (0.46) RAB9AMAPK1AURKA
SCHEMBL6427567 0.82 ADORA3 (0.44) RAB9ANPC1SMN1; SMN2PKMMAPK14
SCHEMBL13927838 0.80 ABL1 (0.48) MAPK1DYRK1A
SCHEMBL5032378 0.76 KDR (0.48) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5032432 0.76 KDR (0.47) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6426287 0.72 KMT2A (0.45) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL6427891 0.72 MAPT (0.49) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6426072 0.72 KMT2A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPK1

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 RAB9A 1606/4885NPC1 3183/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885NPC1 3703/4885SMN1; 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.