SCHEMBL426274

SCHEMBL426274

Cc1cnc(-c2ccc(Br)n2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 3/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
ELANE P08246 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
POLB P06746 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM1 Q13255 3/20 0.32
UCHL1 P09936 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
SCHEMBL424044 0.78 MAPK1 (0.42) MAPTKMT2AGABRG2GABRB3GABRA5
SCHEMBL421515 0.76 P2RX3 (0.34) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL423261 0.75 HSP90AA1 (0.54) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL424632 0.75 BCHE (0.42) MEN1KMT2ASMN1; SMN2GABRG2GABRB3
SCHEMBL426571 0.72 GPR119 (0.43) GABRG2GABRB3GABRA5ELANEGPR119
SCHEMBL13141401 0.70 GABRG2 (0.38) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL423816 0.70 CDC7 (0.50) MEN1KMT2ASMN1; SMN2GPR119POLB
SCHEMBL25694403 0.68 BCHE (0.37) MEN1KMT2AGABRG2GABRB3GABRA5
SCHEMBL421740 0.68 PAX8 (0.49) MEN1MAPTKMT2ASMN1; SMN2GPR119
SCHEMBL12766167 0.68 AR (0.39) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MEN1 3897/4885MAPT 4703/4885TSHR 293/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MEN1 3897/4885MAPT 4703/4885TSHR 293/4885

“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.