SCHEMBL5538056

SCHEMBL5538056

c1cc(-c2ccc3sc4ccc(-c5ccnc(N6CCNCC6)c5)cc4c3c2)cc(N2CCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.57
TLR9 Q9NR96 2/20 0.51
TLR8 Q9NR97 2/20 0.51
TLR7 Q9NYK1 2/20 0.51
ADRB1 P08588 1/20 0.49
NMT1 P30419 12/20 0.48
METAP2 P50579 1/20 0.46
PLD1 Q13393 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45

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
SCHEMBL10198619 0.83 TLR9 (0.50) TLR9TLR8TLR7METAP2
SCHEMBL13978113 0.82 NMT1 (0.43) DYRK1ATLR9TLR8TLR7NMT1
SCHEMBL15274971 0.79 TLR9 (0.47) TLR9TLR8TLR7METAP2
SCHEMBL29157425 0.78 DYRK1A (0.61) DYRK1AADRB1NMT1
SCHEMBL10198628 0.78 PIM1 (0.50) ADRB1
SCHEMBL3442456 0.78 DYRK1A (0.64) DYRK1AADRB1NMT1PLD1
SCHEMBL21594 0.74 HTR7 (0.65) TLR9TLR8TLR7ADRB1
SCHEMBL15274976 0.73 PIM1 (0.46) TLR9TLR8TLR7ADRB1
SCHEMBL38664957 0.73 DYRK1A (0.55) DYRK1ATLR9TLR8TLR7ADRB1
SCHEMBL29534298 0.73 NMT1 (0.60) DYRK1ANMT1PRKD3PRKD1PRKD2

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 42 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-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-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer POLYMEDIX, INC. (US) 2012-05-10 US disclosed
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer POLYMEDIX, INC. (US) 2012-05-10 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 DYRK1A 4829/4885TLR9 12/4885TLR8 19/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 DYRK1A 4829/4885TLR9 12/4885TLR8 19/4885
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer LIPA, ABHD16A, SGMS1 DYRK1A 4415/4885TLR9 581/4885TLR8 1062/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 DYRK1A 4504/4885TLR9 11/4885TLR8 39/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 DYRK1A 4504/4885TLR9 11/4885TLR8 39/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI DYRK1A 4739/4885TLR9 27/4885TLR8 32/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 DYRK1A 3560/4885TLR9 2121/4885TLR8 802/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 DYRK1A 4829/4885TLR9 12/4885TLR8 19/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI DYRK1A 4739/4885TLR9 27/4885TLR8 32/4885

“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.