SCHEMBL4157675

SCHEMBL4157675

CCOC(=O)c1ccc2c(c(C=Cc3ccncc3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
CLK1 P49759 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4157669 1.00 MAPK1 (0.38) MAPK1NPSR1FNTAFNTBADORA3
SCHEMBL4149027 0.90 FNTA (0.35) MAPK1FNTAFNTBADORA3ALDH1A1
SCHEMBL4149033 0.90 FNTA (0.35) MAPK1FNTAFNTBADORA3ALDH1A1
SCHEMBL4144588 0.87 TUBB4A (0.36) MAPK1FNTAFNTBALDH1A1KDM4E
SCHEMBL4144586 0.87 TUBB4A (0.36) MAPK1FNTAFNTBALDH1A1KDM4E
SCHEMBL4144001 0.86 ELANE (0.36) FNTAFNTBALDH1A1KDM4EHPGD
SCHEMBL4143996 0.86 ELANE (0.36) FNTAFNTBALDH1A1KDM4EHPGD
SCHEMBL4151256 0.86 ELANE (0.36) FNTAFNTBADORA3ALDH1A1KDM4E
SCHEMBL4151252 0.86 ELANE (0.36) FNTAFNTBADORA3ALDH1A1KDM4E
SCHEMBL4148977 0.85 TSHR (0.36) MAPK1NPSR1FNTAFNTBADORA3

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 5 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-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 MAPK1 7/4885NPSR1 1749/4885FNTA 4332/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885NPSR1 2210/4885FNTA 4348/4885

“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.