SCHEMBL3069320

SCHEMBL3069320

COC(=O)c1cccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
ABHD6 Q9BV23 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 1/20 0.42
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TGM2 P21980 1/20 0.40
MAP3K14 Q99558 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3077532 0.91 GAA (0.48) ARMEN1KMT2APOLB
SCHEMBL3074104 0.90 AR (0.50) ARMRGPRX4MEN1KMT2ALMNA
SCHEMBL3069861 0.89 AR (0.49) ARMEN1KMT2ALMNAALOX15
SCHEMBL3069370 0.89 AR (0.58) ARMRGPRX4MEN1KMT2ALMNA
SCHEMBL3070003 0.88 CYP11B1 (0.46) ARMEN1KMT2APOLB
SCHEMBL3086632 0.87 AR (0.49) ARMRGPRX4MEN1KMT2ALMNA
SCHEMBL3074286 0.86 AR (0.43) ARMEN1KMT2AMAP3K14
SCHEMBL3087505 0.86 AR (0.43) ARMEN1KMT2AMAP3K14
SCHEMBL3077538 0.86 AR (0.43) ARMEN1KMT2AMAP3K14
SCHEMBL3069222 0.85 LMNA (0.41) ARMEN1KMT2ALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AR 1/4885ABHD6 4600/4885MRGPRX4 648/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885ABHD6 4618/4885MRGPRX4 634/4885

“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.