SCHEMBL3069854

SCHEMBL3069854

Cc1cc(Cn2nc(C)c(-c3ccc(C#N)cc3)c2C)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
CYP11B2 P19099 3/20 0.40
KCNH2 Q12809 9/20 0.39
GRIN2B Q13224 1/20 0.39
AR P10275 4/20 0.38
NSD2 O96028 1/20 0.36
BRD4 O60885 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
SCHEMBL3076301 0.83 AR (0.47) CYP11B2KCNH2GRIN2BARNSD2
SCHEMBL3069283 0.81 CYP11B2 (0.41) CRHR1CYP11B2ARNSD2BRD4
SCHEMBL3085330 0.80 AR (0.50) CYP11B2AR
SCHEMBL3069953 0.80 CYP11B2 (0.41) CRHR1CYP11B2ARNSD2
SCHEMBL3089045 0.77 AR (0.47) CRHR1CYP11B2GRIN2BARBRD4
SCHEMBL3086576 0.76 AR (0.53) CRHR1CYP11B2GRIN2BAR
SCHEMBL3070156 0.75 SLC2A1 (0.53) CYP11B2AR
SCHEMBL3073239 0.75 AR (0.41) CRHR1CYP11B2ARBRD4
SCHEMBL3081399 0.74 BRD4 (0.39) CRHR1CYP11B2ARBRD4
SCHEMBL3089276 0.74 BRD4 (0.44) CRHR1CYP11B2ARBRD4

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 9 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
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 CRHR1 52/4885CYP11B2 13/4885KCNH2 1162/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CRHR1 52/4885CYP11B2 13/4885KCNH2 1107/4885

“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.