SCHEMBL4149138

SCHEMBL4149138

O=C(O)c1cnc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 6/20 0.50
MAPK1 P28482 3/20 0.50
MAPK6 Q16659 3/20 0.50
MAPKAPK3 Q16644 2/20 0.50
LDHA P00338 1/20 0.45
AXL P30530 5/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
MGAM O43451 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4150719 0.86 CA12 (0.48) MAP2K4MAPK1MAPK6MAPKAPK3AXL
SCHEMBL4137668 0.82 MAPK8 (0.53) CSNK2A2CSNK2BNPC1RAB9ASMN1; SMN2
SCHEMBL13927637 0.80 GABRA5 (0.48) MAPK1GSK3BKDM4EALDH1A1GAA
SCHEMBL29930893 0.79 GSK3B (0.58) MAP2K4AXLGSK3AGSK3BPIM1
SCHEMBL29930540 0.78 DYRK1B (0.62) MAP2K4MAPK1MAPK6MAPKAPK3AXL
SCHEMBL13927638 0.78 MAPK1 (0.45) MAPK1GSK3BKDM4ENPC1ALDH1A1
SCHEMBL13927642 0.78 CHEK1 (0.49) SGK1CSNK2A2CSNK2BNPC1RAB9A
SCHEMBL13927633 0.78 RAB9A (0.59) MAPK1KDM4ENPC1ALDH1A1HPGD
SCHEMBL17514144 0.78 KDM4E (0.42) MGAMKDM4EALDH1A1LMNA
SCHEMBL1145007 0.76 HCAR3 (0.41) MAP2K4MAPK1MAPK6MAPKAPK3MGAM

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 MAP2K4 48/4885MAPK1 7/4885MAPK6 10/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAP2K4 54/4885MAPK1 6/4885MAPK6 28/4885

“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.