SCHEMBL3083288

SCHEMBL3083288

Cc1nn(Cc2ccco2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
CYP11B2 P19099 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 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
SCHEMBL3081229 0.84 AR (0.50) ARALDH1A1TSHRNSD2GAA
SCHEMBL3082085 0.82 AR (0.48) ARMAPK1MEN1KMT2ANSD2
SCHEMBL3063842 0.82 AR (0.48) ARTSHRNSD2GAAKDM4E
SCHEMBL3076734 0.82 AR (0.50) ARALDH1A1KMT2ATSHRNSD2
SCHEMBL3077429 0.82 AR (0.50) ARALDH1A1MEN1KMT2ANSD2
SCHEMBL3070012 0.82 AR (0.50) ARALDH1A1MEN1KMT2ANSD2
SCHEMBL3073223 0.82 AR (0.42) ARALDH1A1MEN1KMT2AMAPT
SCHEMBL3082391 0.82 AR (0.46) ARALDH1A1MEN1KMT2ANSD2
SCHEMBL3081320 0.82 AR (0.46) ARTSHRNSD2GAACYP11B2
SCHEMBL3081964 0.81 AR (0.44) ARALDH1A1KMT2ATSHRNSD2

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
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
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 1/4885MAPK1 1215/4885ALDH1A1 809/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885MAPK1 1174/4885ALDH1A1 816/4885

“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.