SCHEMBL4144293

SCHEMBL4144293

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
BRD4 O60885 1/20 0.42
PIM1 P11309 1/20 0.40
NNMT P40261 1/20 0.40
ROCK1 Q13464 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ROCK2 O75116 1/20 0.39
BTK Q06187 3/20 0.39
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
ITK Q08881 1/20 0.39
MAP2K1 Q02750 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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 0.86 ROCK2 (0.43) CCNA2CDK2CCNA1BRD4ROCK1
SCHEMBL4155814 0.80 ALDH1A1 (0.50) CDK2NPC1RAB9AAURKATSHR
SCHEMBL25288291 0.78 CCNA2 (0.53) CCNA2CDK2CCNA1PIM1ROCK1
SCHEMBL14087198 0.77 BRD4 (0.48) CCNA2CDK2CCNA1BRD4ROCK1
SCHEMBL26403639 0.76 CCNA2 (0.51) CCNA2CDK2CCNA1PIM1ROCK1
SCHEMBL25776367 0.76 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1ROCK1
SCHEMBL5412686 0.76 BRD4 (0.47) CCNA2CDK2CCNA1BRD4ROCK1
SCHEMBL22533849 0.75 P2RX7 (0.52) NNMTBTK
SCHEMBL3247351 0.75 BRD4 (0.44) CCNA2CDK2CCNA1BRD4ROCK1
SCHEMBL11039311 0.74 NNMT (0.52) NNMTTSHRPARP1

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 CCNA2 538/4885CDK2 176/4885CCNA1 335/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CCNA2 567/4885CDK2 194/4885CCNA1 362/4885

“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.