SCHEMBL4918903

SCHEMBL4918903

CSc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnc(Cl)c(CO)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.82
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP11B2 P19099 1/20 0.33
CNR1 P21554 2/20 0.33
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
PIM1 P11309 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL14154950 0.92 AR (0.69) ARKDM4EALDH1A1HPGDPPARG
SCHEMBL4921936 0.90 AR (1.00) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL14114850 0.88 AR (0.87) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4915658 0.87 AR (0.79) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4914410 0.86 AR (0.84) ARCYP11B2CNR1PDE9APDE1C
SCHEMBL4922214 0.85 AR (0.89) ARPTGDR2CNR1FNTAFNTB
SCHEMBL4919567 0.85 AR (0.82) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4915218 0.85 AR (0.82) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4919387 0.84 AR (0.81) ARPTGDR2CYP11B2CNR1
SCHEMBL4920911 0.84 AR (0.81) ARCYP11B2CNR1FNTAFNTB

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 2 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

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 1/4885PTGDR2 679/4885KDM4E 373/4885

“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.