SCHEMBL483604

SCHEMBL483604

c1cnc2nc3scnc3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP6 P55212 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 2/20 0.34
HTT P42858 2/20 0.34
CASP7 P55210 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR4A2 P43354 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL13182189 0.76 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL20272946 0.72 ALDH1A1 (0.44) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL483352 0.72 PI4KA (0.46) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL17265834 0.71 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKDM4EHSD17B10
SCHEMBL832575 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL29384237 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL997757 0.71 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL28910441 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL29393471 0.70
SCHEMBL12820 0.70

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 540 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071156-B2 Aqueous gel formulations containing immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-09-11 US claimed
US-20160101173-A1 AQUEOUS GEL FORMULATIONS CONTAINING IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES CO (US) 2016-04-14 US claimed
US-9248127-B2 Aqueous gel formulations containing immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-02-02 US claimed
US-20120237551-A1 IMMUNE RESPONSE MODIFIER FORMULATIONS CONTAINING OLEIC ACID AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-20 US claimed
EP-1651190-B1 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2012-09-19 EP claimed
US-7923560-B2 Associated with typically attached to and, preferably, covalently attached to macromolecular support, e.g. a gel, foam, sponge, fiber, hydrogel, and a bead.; controlled drug delivery; retension of localized biological activity; toll-like receptors agonists to induce cytokine and interferon synthesis 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-12 US claimed
EP-1651190-A4 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-15 EP claimed
US-20090163532-A1 Aqueous Gel Formulations Containing Immune Response Modifiers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US claimed
EP-1735010-A4 METHODS, COMPOSITIONS, AND PREPARATIONS FOR DELIVERY OF IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES CO (US) 2008-08-27 EP claimed
WO-2008082381-A1 IMMUNE RESPONSE MODIFIER FORMULATIONS CONTAINING OLEIC ACID AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-10 WO claimed
WO-2005016275-A2 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-24 WO claimed
WO-2005001022-A2 METHODS AND COMPOSITIONS FOR ENHANCING IMMUNE RESPONSE 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-06 WO claimed
US-20040265351-A1 Methods and compositions for enhancing immune response 3M INNOVATIVE PROPERTIES COMPANY 2004-12-30 US claimed
US-20040258698-A1 Delivery of immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY 2004-12-23 US claimed
WO-2004108072-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS USING METAL-CONTAINING PARTICULATE SUPPORT MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-12-16 WO claimed
WO-2004091500-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-10-28 WO claimed
US-20040202720-A1 Delivery of immune response modifier compounds using metal-containing particulate support materials 3M INNOVATIVE PROPERTIES COMPANY 2004-10-14 US claimed
EP-1450804-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M Innovative Properties Company (US) 2004-09-01 EP claimed
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY 2003-10-23 US claimed
WO-2003045391-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040265351-A1 Methods and compositions for enhancing immune response LRBA, CD69, MYD88 RIPK1 1547/4885ALDH1A1 3930/4885NPC1 1296/4885
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier ICOS, STAT6, INMT RIPK1 3060/4885ALDH1A1 649/4885NPC1 4144/4885
US-20040258698-A1 Delivery of immune response modifier compounds MIF, IRF3, CLEC4M RIPK1 1209/4885ALDH1A1 3449/4885NPC1 3551/4885
US-10071156-B2 Aqueous gel formulations containing immune response modifiers IFNG, ICOS, IL4 RIPK1 1412/4885ALDH1A1 2347/4885NPC1 4682/4885
US-20090163532-A1 Aqueous Gel Formulations Containing Immune Response Modifiers IFNG, ICOS, IL4 RIPK1 1412/4885ALDH1A1 2347/4885NPC1 4682/4885
US-20160101173-A1 AQUEOUS GEL FORMULATIONS CONTAINING IMMUNE RESPONSE MODIFIERS IFNG, ICOS, IL4 RIPK1 1412/4885ALDH1A1 2347/4885NPC1 4682/4885
US-20040202720-A1 Delivery of immune response modifier compounds using metal-containing particulate support materials MIF, IRF3, IRF2BP2 RIPK1 1139/4885ALDH1A1 4306/4885NPC1 3559/4885

“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.