SCHEMBL4140641

SCHEMBL4140641

O=C(Cc1cccs1)Nn1nc(C=Cc2cccc(F)c2)c2c(F)c(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPK1 P28482 1/20 0.41
AURKA O14965 6/20 0.38
AURKB Q96GD4 6/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 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
SCHEMBL27604819 1.00 RAB9A (0.41) RAB9AMAPK1AURKAAURKBMEN1
SCHEMBL14074919 0.78 AURKA (0.49) RAB9AMAPK1AURKAAURKBMEN1
SCHEMBL13927700 0.75 NFE2L2 (0.40) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL4140638 0.74 NPC1 (0.32) RAB9ASMN1; SMN2NPC1POLB
SCHEMBL4151590 0.71 NFE2L2 (0.39) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4151593 0.71 NFE2L2 (0.39) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL13927702 0.68 AURKA (0.62) RAB9AMAPK1AURKAAURKBMEN1
SCHEMBL5030020 0.67 HPGD (0.45) RAB9AMAPK1AURKAAURKBALDH1A1
SCHEMBL4153087 0.65 AURKA (0.69) RAB9AMAPK1AURKAAURKBMEN1
SCHEMBL4153084 0.65 AURKA (0.69) RAB9AMAPK1AURKAAURKBMEN1

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 RAB9A 1606/4885MAPK1 7/4885AURKA 726/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885MAPK1 6/4885AURKA 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.