SCHEMBL3247350

SCHEMBL3247350

COc1c(C(=O)O)ccc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
BRD4 O60885 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL4144293 0.86 CCNA2 (0.48) ROCK2ROCK1BRD4POLBNPC1
SCHEMBL4155814 0.81 ALDH1A1 (0.50) MAPTNPC1RAB9ACDK2KDM4E
SCHEMBL3247351 0.79 BRD4 (0.44) ROCK2ROCK1BRD4POLBNPC1
SCHEMBL1600742 0.79 CCNA2 (0.42) ROCK2ROCK1CDK2CCNA2CCNA1
SCHEMBL5412686 0.77 BRD4 (0.47) ROCK2ROCK1BRD4MAPTCDK2
SCHEMBL8062076 0.77 CCNA2 (0.43) ROCK2ROCK1NPC1RAB9ACDK2
SCHEMBL25286660 0.76 NOS1 (0.44) NPC1RAB9ACDK2CCNA2CCNA1
SCHEMBL13999326 0.76 CCNA2 (0.45) ROCK2ROCK1TDP1MAPTNPC1
SCHEMBL2192636 0.76 TRPA1 (0.43) NPC1RAB9ACDK2CCNA2CCNA1
SCHEMBL31692339 0.76 TRPA1 (0.43) NPC1RAB9ACDK2CCNA2CCNA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020307-A2 INDAZOLE-5-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO 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-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 ROCK2 503/4885ROCK1 768/4885BRD4 358/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ROCK2 560/4885ROCK1 826/4885BRD4 305/4885

“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.