SCHEMBL929807

SCHEMBL929807

c1csc(-c2cnc(-c3nccs3)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
CYP2A6 P11509 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.38
ADORA2A P29274 10/20 0.38
ADORA1 P30542 9/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2B P29275 4/20 0.38
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.35
RAB9A P51151 1/20 0.35
FBP1 P09467 1/20 0.34
PDK1 Q15118 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
METAP1 P53582 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
SCHEMBL2339701 1.00 PDPK1 (0.43) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL3788170 0.81 PDPK1 (0.69) PDPK1CYP2A6LOXL2ALDH1A1ADRB2
SCHEMBL102331 0.80 PDPK1 (0.59) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL18656772 0.79 ADORA2A (0.33) PDPK1CYP2A6ADORA2AADORA1ADORA3
SCHEMBL5647065 0.78 ADORA2A (0.42) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL1763565 0.78 PDPK1 (0.41) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL2629268 0.78 ADORA2A (0.45) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL13191731 0.78 PDPK1 (0.41) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL28570271 0.78 PDPK1 (0.41) PDPK1CYP2A6LOXL2ADORA2AADORA1
SCHEMBL31556353 0.77 PDPK1 (0.56) PDPK1CYP2A6LOXL2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10707426-B2 Liquid crystal photoalignment materials LOMOX LIMITED (GB) 2020-07-07 US disclosed
US-10707426-B2 Liquid crystal photoalignment materials LOMOX LIMITED (GB) 2020-07-07 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-20170084846-A1 Liquid Crystal Photoalignment Materials LOMOX LTD (GB) 2017-03-23 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
US-9508942-B2 Liquid crystal photoalignment materials LOMOX LIMITED 2016-11-29 US disclosed
EP-2361444-B1 CHARGE TRANSPORTING LIQUID CRYSTAL PHOTOALIGNMENT MATERIAL AND METHOD OF FORMING SAID MATERIAL LOMOX LTD (GB) 2016-01-27 EP disclosed
EP-2361444-B1 CHARGE TRANSPORTING LIQUID CRYSTAL PHOTOALIGNMENT MATERIAL AND METHOD OF FORMING SAID MATERIAL LOMOX LTD (GB) 2016-01-27 EP disclosed
EP-2361444-A1 MATERIALS Lomox Limited (GB) 2011-08-31 EP disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
US-20110020566-A1 Materials LOMOX LIMITED (GB) 2011-01-27 US disclosed
WO-2009103952-A1 MATERIALS LOMOX LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103952-A1 MATERIALS LOMOX LIMITED (GB) 2009-08-27 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-20110020566-A1 Materials VIM, EPCAM, S100A4 PDPK1 2749/4885CYP2A6 3504/4885LOXL2 2134/4885

“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.