SCHEMBL4914130

SCHEMBL4914130

COCc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnc(Cl)c(CO)c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.79
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PGGT1B P53609 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK14 Q16539 1/20 0.33
CNR1 P21554 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14114850 0.92 AR (0.87) ARFNTAFNTBCNR1
SCHEMBL4918792 0.91 AR (0.77) ARFNTAFNTBPGGT1BCNR1
SCHEMBL4914410 0.90 AR (0.84) ARCNR1
SCHEMBL4921936 0.89 AR (1.00) ARFNTAFNTBCNR1
SCHEMBL4920911 0.88 AR (0.81) ARFNTAFNTBCNR1
SCHEMBL14114848 0.88 AR (0.77) ARFNTAFNTBCNR1
SCHEMBL4918560 0.88 AR (0.79) ARFNTAFNTBCNR1
SCHEMBL4915658 0.88 AR (0.79) ARFNTAFNTBCNR1
SCHEMBL4920887 0.85 AR (0.75) ARFNTAFNTBCNR1
SCHEMBL4914015 0.85 AR (0.82) ARFNTAFNTBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885FNTA 4295/4885FNTB 4695/4885

“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.