SCHEMBL4921936

SCHEMBL4921936

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnc(Cl)c(CO)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 1.00
CYP11B2 P19099 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 2/20 0.35
CYP11B1 P15538 2/20 0.35
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 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
SCHEMBL4922214 0.94 AR (0.89) ARPTGDR2CNR1PDE9APDE1C
SCHEMBL14114850 0.93 AR (0.87) ARCYP11B2PTGDR2CNR1CYP11B1
SCHEMBL4914410 0.91 AR (0.84) ARCYP11B2CNR1CYP11B1PDE9A
SCHEMBL4915218 0.90 AR (0.82) ARCYP11B2PTGDR2CNR1FNTA
SCHEMBL4919567 0.90 AR (0.82) ARCYP11B2PTGDR2CNR1CYP11B1
SCHEMBL4918903 0.90 AR (0.82) ARCYP11B2PTGDR2CNR1PDE9A
SCHEMBL4914015 0.90 AR (0.82) ARCYP11B2CNR1CYP11B1PDE9A
SCHEMBL4919387 0.90 AR (0.81) ARCYP11B2PTGDR2CNR1
SCHEMBL4920911 0.90 AR (0.81) ARCYP11B2CNR1CYP11B1PDE9A
SCHEMBL4921463 0.90 AR (0.81) ARPTGDR2CNR1FNTAFNTB

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
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US claimed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP claimed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 WO claimed
US-20100119452-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-13 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
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 (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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885CYP11B2 81/4885PTGDR2 679/4885
US-20100119452-A1 SCREENING METHOD KLK3, ACP3, SHBG AR 7/4885CYP11B2 995/4885PTGDR2 1598/4885

“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.