SCHEMBL4302684

SCHEMBL4302684

Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccccc1C(=O)N1CCC(O)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.69
POLB P06746 1/20 0.44
RORC P51449 1/20 0.41
RUVBL1 Q9Y265 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4237896 0.95 AR (0.71) ARPOLB
SCHEMBL13663638 0.90 AR (0.66) ARRORCPGRCYP2D6CYP2C9
SCHEMBL4228569 0.88 AR (0.76) ARPOLB
SCHEMBL4240151 0.88 AR (0.73) ARPOLB
SCHEMBL4243237 0.88 AR (0.67) ARPOLBRORC
SCHEMBL13663637 0.87 AR (0.73) ARPOLB
SCHEMBL4234029 0.86 AR (0.73) ARPOLBRORC
Trifluoroacetic Acid SCHEMBL4228067 0.85 AR (0.60) ARPGRCYP2D6CYP2C9
SCHEMBL4303905 0.85 AR (0.75) AR
SCHEMBL4300798 0.85 AR (0.75) AR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO 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 (1 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885POLB 4407/4885RORC 521/4885

“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.