SCHEMBL4136010

SCHEMBL4136010

O=C(O)Cc1cnc2c(-c3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
TBXA2R P21731 1/20 0.42
PTGDR Q13258 1/20 0.42
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN2B Q13224 2/20 0.36
SRC P12931 1/20 0.35
PTGER1 P34995 1/20 0.35
WNT3A P56704 1/20 0.35
PTGIR P43119 1/20 0.35

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
SCHEMBL4146332 0.81 KDM4E (0.45) PTGDR2TBXA2RPTGDRKDM4ESMN1; SMN2
SCHEMBL6222995 0.80 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRKDM4EALDH1A1
SCHEMBL4140254 0.77 PDE4A (0.39) KDM4EADORA1ALDH1A1GRIN2BPTGER1
SCHEMBL2870394 0.73 PTGER1 (0.43) PTGDR2KDM4EALDH1A1PTGER1
SCHEMBL6222657 0.72 PTGER1 (0.39) PTGDR2ADORA1PTGER1
SCHEMBL2861558 0.72 PTGER1 (0.39) KDM4EADORA1ALDH1A1PTGER1
SCHEMBL4151692 0.71 MAP2K4 (0.46) PTGDR2TBXA2RPTGDRKDM4ESMN1; SMN2
SCHEMBL4145901 0.71 MAPK1 (0.38) KDM4ESMN1; SMN2ADORA1ALDH1A1PTGER1
SCHEMBL4137268 0.71 DPP4 (0.42) KDM4EADORA1ALDH1A1PTGER1
SCHEMBL2865256 0.71 PTGER1 (0.41) KDM4EADORA1ALDH1A1PTGER1

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 4 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

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 PTGDR2 1299/4885TBXA2R 1525/4885PTGDR 1090/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PTGDR2 1477/4885TBXA2R 2034/4885PTGDR 1340/4885

“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.