SCHEMBL3083168

SCHEMBL3083168

Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.56
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
NR1I2 O75469 1/20 0.43
NR3C1 P04150 1/20 0.43
RXRA P19793 1/20 0.43
P2RX7 Q99572 6/20 0.42
CYP11B2 P19099 1/20 0.42
TP53 P04637 2/20 0.41

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
SCHEMBL3086574 0.93 AR (0.55) ARLMNAMEN1KMT2ACYP11B2
SCHEMBL3085319 0.89 LMNA (0.47) ARLMNAMEN1KMT2ATP53
SCHEMBL3087297 0.88 AR (0.62) ARCYP11B2TP53
SCHEMBL3087668 0.85 AR (0.48) ARLMNACYP11B2
SCHEMBL3086188 0.84 AR (0.53) ARLMNAMEN1KMT2AP2RX7
SCHEMBL3075150 0.84 AR (0.47) ARLMNAMEN1KMT2ACYP11B2
SCHEMBL3082085 0.84 AR (0.48) ARMEN1KMT2ACYP11B2
SCHEMBL3083349 0.83 AR (0.60) ARMEN1KMT2ANR3C1P2RX7
SCHEMBL3077518 0.83 AR (0.47) ARLMNAMEN1KMT2ACYP11B2
SCHEMBL13309145 0.82 AR (0.44) ARLMNA

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 AR 1/4885LMNA 4608/4885MEN1 2054/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885LMNA 4607/4885MEN1 2116/4885

“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.