SCHEMBL4155814

SCHEMBL4155814

CCOC(=O)c1ccc2[nH]ncc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK3 Q00526 2/20 0.41
PDE4B Q07343 1/20 0.41
HPGD P15428 1/20 0.40
METTL3 Q86U44 1/20 0.40

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
SCHEMBL3247350 0.81 ROCK2 (0.43) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL4144293 0.80 CCNA2 (0.48) NPC1RAB9ATSHRAURKACDK2
SCHEMBL19100359 0.79 METTL3 (0.58) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11577717 0.76 KMT2A (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6501043 0.75 JAK2 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27185273 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3597421 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL29705922 0.74 AURKA (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4140560 0.74 KDM4E (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4816461 0.73 KDM4E (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A

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 9 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-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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 ALDH1A1 2731/4885MEN1 4415/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ALDH1A1 2713/4885MEN1 4470/4885KMT2A 741/4885

“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.