SCHEMBL3076101

SCHEMBL3076101

Cc1nn(Cc2ccc(N3CCOCC3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.48
TSHR P16473 3/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
PIK3C2B O00750 1/20 0.41
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3081176 0.89 CNR2 (0.44) AR
SCHEMBL3069337 0.86 ALDH1A1 (0.44) ARTSHRKDM4EUSP2CASP1
SCHEMBL3076093 0.85 AR (0.62) ARTSHRUSP2LMNA
SCHEMBL3075740 0.85 AR (0.43) ARTSHRKDM4EMAPTPIK3C2B
SCHEMBL3070012 0.84 AR (0.50) ARKDM4EMAPTUSP2NSD2
SCHEMBL3077429 0.84 AR (0.50) ARKDM4EMAPTNSD2SMN1; SMN2
SCHEMBL3081376 0.83 AR (0.49) ARNSD2
SCHEMBL3083408 0.83 SCN10A (0.40) ARTSHRKDM4EPIK3C2BLMNA
SCHEMBL3075938 0.82 AR (0.43) ARTSHRKDM4EMAPTUSP2
SCHEMBL3063842 0.82 AR (0.48) ARTSHRKDM4ENSD2POLB

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 1/4885TSHR 316/4885KDM4E 1414/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885TSHR 308/4885KDM4E 1440/4885

“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.