SCHEMBL584121

SCHEMBL584121

O=Cc1cnc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.64
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL585682 1.00 DPP4 (0.64) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL585060 0.91 DPP4 (0.53) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2246884 0.80 DPP4 (0.47) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL498654 0.79 DPP4 (1.00) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL16081599 0.79 DPP4 (1.00) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL223830 0.77 DPP4 (0.96) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13146570 0.76 ALDH1A1 (0.45) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13146542 0.76 ALDH1A1 (0.45) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL289461 0.76 DPP4 (0.44) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL289732 0.75 ALDH1A1 (0.49) DPP4ALDH1A1KDM4EGAAL3MBTL1

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-9067942-B2 Pyrrolopyrrole derivatives, their manufacture and use as semiconductors BASF SE (DE) 2015-06-30 US disclosed
US-9067942-B2 Pyrrolopyrrole derivatives, their manufacture and use as semiconductors BASF SE (DE) 2015-06-30 US disclosed
US-9067942-B2 Pyrrolopyrrole derivatives, their manufacture and use as semiconductors BASF SE (DE) 2015-06-30 US disclosed
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 US disclosed
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 US disclosed
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 US disclosed
EP-2417137-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-02-15 EP disclosed
WO-2010115767-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2010-10-14 WO disclosed
WO-2010115767-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2010-10-14 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-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS PPOX, PIN1, DDT DPP4 2747/4885ALDH1A1 1580/4885KDM4E 2052/4885

“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.