SCHEMBL3073216

SCHEMBL3073216

Cc1noc(-c2ccccc2)c1Cn1nc(C)c(-c2ccc(C#N)c(Cl)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
BRD4 O60885 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PGR P06401 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL3073267 0.87 AR (0.50) ARBRD4LMNASMN1; SMN2NSD2
SCHEMBL3082362 0.86 AR (0.44) ARBRD4SLC22A12PTGDR2LMNA
SCHEMBL3063842 0.84 AR (0.48) ARSLC22A12GAAPOLBCYP1A2
SCHEMBL3081229 0.83 AR (0.50) ARLMNAGAAPOLBCYP1A2
SCHEMBL3073223 0.83 AR (0.42) ARLMNASMN1; SMN2POLBCYP1A2
SCHEMBL3081311 0.82 AR (0.42) ARBRD4GAAPOLBCYP1A2
SCHEMBL3082085 0.79 AR (0.48) ARBRD4PGRGAANSD2
SCHEMBL27815896 0.79 AR (0.46) ARSLC22A12LMNAGAAPOLB
SCHEMBL3083303 0.79 AR (0.42) ARBRD4GAAPOLBCYP1A2
SCHEMBL27815970 0.78 AR (0.45) ARLMNAGAAPOLBCYP1A2

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 1/4885BRD4 301/4885SLC22A12 1644/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885BRD4 311/4885SLC22A12 1565/4885

“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.