SCHEMBL10198619

SCHEMBL10198619

c1cc(N2CCNCC2)ncc1-c1ccc2sc3ccc(-c4ccc(N5CCNCC5)nc4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.50
TLR8 Q9NR97 4/20 0.50
TLR7 Q9NYK1 4/20 0.50
GPR119 Q8TDV5 1/20 0.49
MAP3K11 Q16584 1/20 0.48
IL2 P60568 1/20 0.48
MAP4K1 Q92918 1/20 0.48
METAP2 P50579 2/20 0.47
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
NTRK1 P04629 3/20 0.45
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CNR2 P34972 1/20 0.43
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
ACVR1B P36896 2/20 0.43
ACVR1 Q04771 2/20 0.43
ACVRL1 P37023 1/20 0.43

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
SCHEMBL15274971 0.95 TLR9 (0.47) TLR9TLR8TLR7GPR119MAP3K11
SCHEMBL5538056 0.83 DYRK1A (0.57) TLR9TLR8TLR7METAP2
SCHEMBL15244897 0.81 KCNH2 (0.56) TLR9TLR8TLR7GPR119MAP3K11
SCHEMBL15244966 0.81 KCNH2 (0.56) TLR9TLR8TLR7GPR119MAP3K11
SCHEMBL19445556 0.78 TLR9 (0.39) TLR9TLR8TLR7GPR119MAP3K11
SCHEMBL10198628 0.78 PIM1 (0.50)
SCHEMBL3442195 0.76 GPR119 (0.59) GPR119KCNH2CACNA1CASIC3NTRK1
SCHEMBL23601164 0.75 KCNH2 (0.57) TLR9TLR8TLR7GPR119IL2
SCHEMBL12911533 0.75 GPR119 (0.58) GPR119KCNH2CACNA1CASIC3CNR2
SCHEMBL12911528 0.75 GPR119 (0.58) TLR9TLR8TLR7GPR119KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 US disclosed
US-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 EP disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 US disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 WO disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 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 (9 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TLR9 12/4885TLR8 19/4885TLR7 27/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 TLR9 12/4885TLR8 19/4885TLR7 27/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TLR9 12/4885TLR8 19/4885TLR7 27/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 TLR9 11/4885TLR8 39/4885TLR7 48/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 TLR9 11/4885TLR8 39/4885TLR7 48/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI TLR9 27/4885TLR8 32/4885TLR7 92/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 TLR9 2121/4885TLR8 802/4885TLR7 1438/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TLR9 12/4885TLR8 19/4885TLR7 27/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TLR9 27/4885TLR8 32/4885TLR7 92/4885

“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.