SCHEMBL3070091

SCHEMBL3070091

Cc1nn(Cc2cccc(Cl)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.40
NSD2 O96028 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.39
BRD4 O60885 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL3079008 0.91 AR (0.47) ARSMN1; SMN2MAPTTP53POLB
SCHEMBL3076734 0.91 AR (0.50) ARKMT2AALDH1A1KDM4EHPGD
SCHEMBL3081229 0.91 AR (0.50) ARPOLBALDH1A1KDM4ELMNA
SCHEMBL3086046 0.90 AR (0.46) ARPOLBALDH1A1NSD2TSHR
SCHEMBL3086188 0.89 AR (0.53) ARSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3070012 0.89 AR (0.50) ARSMN1; SMN2MAPTPOLBKMT2A
SCHEMBL3086122 0.88 AR (0.46) ARSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3070135 0.87 HTT (0.46) ARMAPTPOLBHTTPGR
SCHEMBL3063842 0.87 AR (0.48) ARPOLBKDM4ENSD2TSHR
SCHEMBL3077429 0.86 AR (0.50) ARSMN1; SMN2MAPTTP53POLB

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 7 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
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 1/4885SMN1; SMN2 4482/4885MAPT 4236/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885SMN1; SMN2 4488/4885MAPT 4248/4885

“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.