SCHEMBL168410

SCHEMBL168410

c1ccc(CN(Cc2ccccc2)c2ncnc3cncnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 5/20 0.40
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
NOS1 P29475 1/20 0.39
TSHR P16473 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RPS6KB1 P23443 1/20 0.37
ALDH1A1 P00352 3/20 0.37
EGFR P00533 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8132510 0.85 LMNA (0.53) KDM4ETP53LMNAHIF1ASMN1; SMN2
SCHEMBL7953183 0.82 ALDH1A1 (0.46) KDM4ETP53MAPTLMNASMN1; SMN2
SCHEMBL7948937 0.73 EGFR (0.40) LMNAUSP2TSHRRPS6KB1ALDH1A1
SCHEMBL7937354 0.72 KDM4E (0.51) KDM4ENPSR1TP53MAPTLMNA
SCHEMBL9222308 0.70 TSHR (0.51) KDM4ENPSR1TP53MAPTLMNA
SCHEMBL28090340 0.68 LMNA (0.49) KDM4ENPSR1TP53MAPTLMNA
SCHEMBL27855323 0.68 TAAR1 (0.53) KDM4ELMNAHIF1ASMN1; SMN2TSHR
SCHEMBL7973444 0.65 RPS6KB1 (0.47) KDM4ETP53LMNAHIF1ASMN1; SMN2
SCHEMBL30775396 0.65 CSF1R (0.49) KDM4ETP53LMNAHIF1ASMN1; SMN2
SCHEMBL9723536 0.65 ADRA2A (0.37) KDM4ENPSR1TP53MAPTLMNA

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 75 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
JP-2001517226-A 2001-10-02 JP claimed
EP-0971925-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-01-19 EP claimed
WO-1998043974-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-10-08 WO claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
EP-0971925-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-01-19 EP disclosed
WO-1998043974-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-10-08 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 KDM4E 2040/4885NPSR1 434/4885TP53 1375/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP KDM4E 3208/4885NPSR1 2421/4885TP53 1536/4885
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels TYMP, TTR, TPMT KDM4E 3637/4885NPSR1 2755/4885TP53 1793/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT KDM4E 3832/4885NPSR1 1398/4885TP53 2277/4885
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 KDM4E 4269/4885NPSR1 3282/4885TP53 1895/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP KDM4E 3208/4885NPSR1 2421/4885TP53 1536/4885

“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.