SCHEMBL2197215

SCHEMBL2197215

O=C(O)NCCc1cn(S(=O)(=O)c2ccc(F)cn2)c(-c2cccnc2F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.32
DHODH Q02127 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
ATR Q13535 1/20 0.30
CXCR2 P25025 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL2407109 0.90 IDE (0.34) GRM4DHODHHTTKDM4EHIF1A
SCHEMBL2199163 0.89 GSK3B (0.38) GRM4HIF1A
SCHEMBL5008446 0.85 MEN1 (0.33) DHODHKDM4E
SCHEMBL2192478 0.85 SMN1; SMN2 (0.32) DHODHKDM4E
SCHEMBL5002574 0.85 SLC40A1 (0.33) DHODHKDM4E
SCHEMBL2413187 0.84 ALDH1A1 (0.40) POLBHTTKDM4E
SCHEMBL2193985 0.84 DCTPP1 (0.35) DHODH
SCHEMBL5002944 0.84 NPC1 (0.37) GRM4DHODHKDM4EHIF1A
SCHEMBL2196053 0.84 NAMPT (0.36) GRM4DHODHHTT
SCHEMBL2194096 0.84 NAMPT (0.35) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GRM4 2678/4885DHODH 1109/4885POLB 2421/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GRM4 2678/4885DHODH 1109/4885POLB 2421/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GRM4 2678/4885DHODH 1109/4885POLB 2421/4885

“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.