SCHEMBL3081369

SCHEMBL3081369

Cc1nn(Cc2nc(C(=O)O)cs2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
PTGER1 P34995 2/20 0.42
AR P10275 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RY14 Q15391 1/20 0.37
RPA1 P27694 1/20 0.36
POLB P06746 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
GAA P10253 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL3086581 0.91 MAPK1 (0.42) MAPK1ARPTGDR2DPP4ALDH1A1
SCHEMBL3069269 0.88 ALDH1A1 (0.52) MAPK1ARALDH1A1KDM4ESMN1; SMN2
SCHEMBL3080699 0.85 AR (0.45) PTGER1ARPOLB
SCHEMBL3076298 0.84 MAPK1 (0.40) MAPK1ARPTGDR2GAAMAPT
SCHEMBL3076797 0.77 AR (0.45) AR
SCHEMBL3070064 0.77 AR (0.65) ARPTGDR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3089374 0.77 AR (0.44) ARDPP4
SCHEMBL3088656 0.75 AR (0.49) ARPOLBGAA
SCHEMBL3075762 0.75 AR (0.43) PTGER1AR
SCHEMBL5361382 0.75 AR (0.48) MAPK1ARDPP4ALDH1A1KDM4E

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 MAPK1 1215/4885PTGER1 635/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 MAPK1 1174/4885PTGER1 641/4885AR 1/4885

“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.