SCHEMBL3083239

SCHEMBL3083239

Cc1nc(-c2ccc(Cn3nc(C)c(-c4ccc(C#N)c(Cl)c4)c3C)s2)cs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.41
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
PGR P06401 1/20 0.34
CYP2C19 P33261 1/20 0.34
EIF4E P06730 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
NSD2 O96028 1/20 0.33
CYP11B2 P19099 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PRNP P04156 1/20 0.31

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
SCHEMBL3070089 0.84 AR (0.41) ARL3MBTL1NSD2CYP11B2MAPT
SCHEMBL3070146 0.84 AR (0.41) ARPGRRAB9ANPC1NSD2
SCHEMBL3073231 0.79 AR (0.46) ARNSD2CYP11B2
SCHEMBL3082391 0.79 AR (0.46) ARL3MBTL1RAB9ANPC1NSD2
SCHEMBL3063738 0.78 AR (0.45) ARNPSR1NSD2CYP11B2KDM4E
SCHEMBL3077479 0.77 AR (0.43) ARNPSR1CYP2C19NSD2CYP11B2
SCHEMBL3086088 0.77 AR (0.44) AREIF4ENSD2CYP11B2
SCHEMBL3074002 0.77 AR (0.42) ARNPSR1NSD2CYP11B2KDM4E
SCHEMBL3076725 0.76 AR (0.44) ARGAAEIF4ENSD2
SCHEMBL3081380 0.75 AR (0.44) ARGAANSD2

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 1/4885GAA 4868/4885L3MBTL1 4174/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885GAA 4868/4885L3MBTL1 4199/4885

“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.