SCHEMBL168411

SCHEMBL168411

Nc1nc(Cc2ccccc2)c2ncnc(Cc3ccccc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.54
LTB4R Q15722 2/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AOC3 Q16853 1/20 0.36
JAK2 O60674 1/20 0.36
NUDT1 P36639 1/20 0.35

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
SCHEMBL27660234 0.74 MPO (0.61) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL7941513 0.73 TLR7 (0.56) MPOLTB4RNUDT1
SCHEMBL7947642 0.71 MPO (0.47) MPOCYP2D6CYP1A2CYP3A4SMN1; SMN2
SCHEMBL16943987 0.70 MPO (0.53) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL27765525 0.70 MPO (0.60) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL9443830 0.70 MPO (0.60) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL8008235 0.70 CDK1 (0.62) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL10698612 0.69 MPO (0.47) MPOLTB4RCYP2D6CYP1A2CYP3A4
SCHEMBL27313299 0.69 DCPS (0.55) MPOLTB4RCYP1A2RAB9ASMN1; SMN2
SCHEMBL3416553 0.69 HTR6 (0.57) MPOLTB4RCYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP claimed
EP-2279742-A2 Combinations for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-02-02 EP claimed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP claimed
US-20090005358-A1 Compositions and methods for treating medical conditions LG CHEM, LTD. (KR) 2009-01-01 US claimed
WO-2009002507-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-12-31 WO claimed
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels COMBINATORX, INCORPORATED 2008-01-31 US claimed
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels COMBINATORX, INC. 2008-01-03 US claimed
WO-2007146012-A1 TREATMENT OF PERIODONTAL DISEASE ASSOCIATED WITH INCREASED C-REACTIVE PROTEIN LEVELS COMBINATORX, INCORPORATED (US) 2007-12-21 WO claimed
WO-2007139753-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OR CONDITIONS ASSOCIATED WITH INCREASED C-REACTIVE PROTEIN, INTERLEUKIN-6, OR INTERFERON-GAMMA LEVELS COMBINATORX, INCORPORATED (US) 2007-12-06 WO claimed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 US claimed
EP-1448205-A4 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2007-01-03 EP claimed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 EP claimed
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders ZALICUS INC. 2003-06-26 US claimed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 WO claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
US-20110223621-A1 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INC. 2011-09-15 US disclosed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 EP disclosed
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders ZALICUS INC. 2003-06-26 US disclosed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 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 (6 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-20090005358-A1 Compositions and methods for treating medical conditions ITCH, TSLP, P2RX5 MPO 310/4885LTB4R 35/4885CDC7 3617/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP MPO 14/4885LTB4R 25/4885CDC7 4398/4885
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels TYMP, TTR, TPMT MPO 193/4885LTB4R 142/4885CDC7 3072/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT MPO 45/4885LTB4R 33/4885CDC7 4181/4885
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels IFNG, IL6, IL36G MPO 431/4885LTB4R 416/4885CDC7 3236/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP MPO 14/4885LTB4R 25/4885CDC7 4398/4885

“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.