SCHEMBL427678

SCHEMBL427678

CC(C)[Si](C(C)C)(C(C)C)n1cccc1-c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
KDR P35968 1/20 0.39
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
ADRB2 P07550 2/20 0.34
RAB9A P51151 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE10A Q9Y233 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
METAP1 P53582 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL5075847 0.70 PDPK1 (0.43) PDPK1KDRCYP2A6ADORA2AADORA1
SCHEMBL12661392 0.68 PCSK9 (0.43) KDRCYP2A6RAB9ANPC1
SCHEMBL28110916 0.66 PDPK1 (0.50) PDPK1KDRRAB9ALOXL2NPC1
SCHEMBL5327965 0.65
SCHEMBL27967549 0.64 SLC16A3 (0.38) PDPK1KDRADORA2AADORA1HPGD
SCHEMBL4503446 0.64
SCHEMBL28567318 0.63 COMT (0.43) PDPK1KDRCYP2A6ADORA2AADORA1
SCHEMBL102331 0.62 PDPK1 (0.59) PDPK1CYP2A6ADORA2AADORA1ADORA3
SCHEMBL14375482 0.62 DYRK1A (0.48) PDPK1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12276988 0.62 HPGD (0.38) PDPK1CYP2A6ADORA2AADORA1ADORA3

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
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN disclosed
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 PDPK1 358/4885KDR 319/4885CYP2A6 191/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 PDPK1 358/4885KDR 319/4885CYP2A6 191/4885

“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.