SCHEMBL4150719

SCHEMBL4150719

O=C(O)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
MGAM O43451 1/20 0.44
MAP2K4 P45985 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
CTRC Q99895 1/20 0.43
SGK1 O00141 4/20 0.42
ALPL P05186 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DHODH Q02127 1/20 0.40
AXL P30530 2/20 0.40
CAMKK2 Q96RR4 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 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
SCHEMBL4149138 0.86 MAP2K4 (0.50) MGAMMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4151588 0.83 HPGDS (0.47) KDR
SCHEMBL6426385 0.81 HDAC3 (0.41) MAPK1ALPLGSK3AGSK3BSIRT2
SCHEMBL2855850 0.79 MAP2K4 (0.59) CA12MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4151243 0.79 CA12 (0.47) CA12CTRCSGK1ALPLGSK3A
SCHEMBL6427310 0.79 CNR1 (0.44) MAPK1SGK1ALPLGSK3AGSK3B
SCHEMBL6428817 0.78 ALDH1A1 (0.52) MAPK1
SCHEMBL6428249 0.78 PSMD14 (0.52) MAPK1
SCHEMBL6426151 0.78 HPGD (0.58) MAPK1
SCHEMBL4157728 0.77 GABRP (0.49) CA12MAP2K4MAPK1MAPKAPK3MAPK6

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 CA12 2541/4885MGAM 4523/4885MAP2K4 48/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CA12 2296/4885MGAM 4605/4885MAP2K4 54/4885

“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.