SCHEMBL544023

SCHEMBL544023

Nc1nc2ccccc2c2c1nc1n2CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
BCHE P06276 1/20 0.50
CFTR P13569 1/20 0.50
ACHE P22303 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
GOPC Q9HD26 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46

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
SCHEMBL8114555 0.96 HSD17B10 (0.55) MEN1KMT2AHDAC6KDM4EALDH1A1
Water SCHEMBL8122300 0.94 HSD17B10 (0.54) MEN1KMT2AHDAC6KDM4EALDH1A1
SCHEMBL10123163 0.83 KDM4E (0.48) KDM4EALDH1A1HSD17B10TLR7NCF1
SCHEMBL12888414 0.83 NCF1 (0.47) KDM4EALDH1A1ALOX15HSD17B10USP2
Hydrochloric Acid SCHEMBL1233122 0.81 TLR7 (0.40) KDM4EALDH1A1ALOX15HSD17B10USP2
SCHEMBL1233115 0.79 ALDH1A1 (0.39) MEN1KMT2AHDAC6KDM4EALDH1A1
SCHEMBL8114384 0.78 KDM4E (0.46) KDM4EALDH1A1HSD17B10TLR7NCF1
Hydrochloric Acid SCHEMBL1233645 0.77 NCF1 (0.44) KDM4EALDH1A1ALOX15HSD17B10TLR7
SCHEMBL202353 0.77 TLR7 (0.41) TLR7TLR8
SCHEMBL1231786 0.77 TLR7 (0.40) KDM4EALDH1A1ALOX15HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY 2003-10-23 US claimed
EP-0802913-B1 IMIDAZO [4,5-c]QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2000-04-26 EP claimed
US-5482936-A INDUCE INTERFERON BIOSYNTHESIS IN AN ANIMAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US claimed
EP-3889158-B1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-03 EP disclosed
US-8110582-B2 by administering immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-07 US disclosed
US-7968562-B2 an immune response modifier (IRM) compound 2-methyl-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]naphthyridin-4-amine; fatty acids such as oleic acid, isostearic acid; hydrophobic, aprotic caprylic/capric triglyceride miscible with fatty acid; actinic keratosis, postsurgical scars, warts, atopic dermatitis 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed
EP-1450804-B9 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-04-01 EP disclosed
EP-1719511-B1 N-[4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide, a pharmaceutical composition comprising the same and use thereof 3M INNOVATIVE PROPERTIES CO (US) 2008-12-10 EP disclosed
US-20080275077-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER SKWIERCZYNSKI RAYMOND D 2008-11-06 US disclosed
EP-1450804-B1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2008-08-27 EP disclosed
EP-1719511-A2 N-[4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide, a pharmaceutical composition comprising the same and use thereof 3M Innovative Properties Company (US) 2006-11-08 EP disclosed
US-20040175336-A1 Prophylactic treatment of UV-induced epidermal neoplasia 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 US disclosed
EP-0802913-B1 IMIDAZO [4,5-c]QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2000-04-26 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-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier ICOS, STAT6, INMT MEN1 4850/4885KMT2A 419/4885HDAC6 2584/4885
US-20080275077-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER ICOS, STAT6, INMT MEN1 4853/4885KMT2A 396/4885HDAC6 2544/4885

“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.