SCHEMBL3076772

SCHEMBL3076772

Cc1nn(Cc2cncn2Cc2ccccc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PGGT1B P53609 4/20 0.39
NSD2 O96028 1/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
TSHR P16473 1/20 0.36

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 0.87 AR (0.50) ARNSD2TSHR
SCHEMBL3083300 0.85 AR (0.45) ARFNTAFNTBPGGT1BNSD2
SCHEMBL3063842 0.83 AR (0.48) ARFNTAFNTBPGGT1BNSD2
SCHEMBL27815896 0.82 AR (0.46) ARNSD2TSHR
SCHEMBL3080765 0.81 P2RX7 (0.47) ARCYP11B1CYP11B2TSHR
SCHEMBL27815970 0.81 AR (0.45) ARNSD2TSHR
SCHEMBL3076218 0.80 AR (0.49) ARNSD2CYP11B2
SCHEMBL3079008 0.79 AR (0.47) ARNSD2TSHR
SCHEMBL3070091 0.79 AR (0.47) ARNSD2TSHR
SCHEMBL3082085 0.79 AR (0.48) ARNSD2CYP11B2

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 1/4885FNTA 4402/4885FNTB 4188/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885FNTA 4428/4885FNTB 4219/4885

“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.