SCHEMBL10198628

SCHEMBL10198628

c1cc(N2CCNCC2)ccc1-c1ccc2sc3ccc(-c4ccc(N5CCNCC5)cc4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.50
PIM3 Q86V86 4/20 0.50
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
PIM2 Q9P1W9 2/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
ADRB1 P08588 8/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
KHK P50053 3/20 0.46
TGFBR1 P36897 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 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
SCHEMBL15274976 0.94 PIM1 (0.46) PIM1PIM3HTR1AHTR7PIM2
SCHEMBL15244929 0.86 ADRB1 (0.53) HTR1AHTR7ADRB1HTR3EHTR3B
SCHEMBL21594 0.86 HTR7 (0.65) HTR1AHTR7ADRB1HTR3EHTR3B
SCHEMBL15245011 0.80 ADRB1 (0.68) HTR1AHTR7ADRB1HTR3EHTR3B
SCHEMBL5538056 0.78 DYRK1A (0.57) ADRB1
SCHEMBL10198619 0.78 TLR9 (0.50)
SCHEMBL5570604 0.74 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15244968 0.74 ADRB1 (0.55) HTR1AHTR7ADRB1HTR3EHTR3B
SCHEMBL15274971 0.74 TLR9 (0.47)
SCHEMBL1359864 0.73 ADRB1 (0.76) PIM1PIM3HTR1AHTR7PIM2

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 40 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 PIM1 2988/4885PIM3 2914/4885HTR1A 4261/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 PIM1 2988/4885PIM3 2914/4885HTR1A 4261/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PIM1 2988/4885PIM3 2914/4885HTR1A 4261/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 PIM1 2403/4885PIM3 2198/4885HTR1A 3204/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 PIM1 2403/4885PIM3 2198/4885HTR1A 3204/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI PIM1 3580/4885PIM3 3585/4885HTR1A 4373/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 PIM1 3445/4885PIM3 3549/4885HTR1A 2473/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PIM1 2988/4885PIM3 2914/4885HTR1A 4261/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI PIM1 3580/4885PIM3 3585/4885HTR1A 4373/4885

“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.