SCHEMBL168409

SCHEMBL168409

c1ccc(CNc2ncnc3c(NCc4ccccc4)ncnc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.68
GALR3 O60755 2/20 0.64
NR2F2 P24468 2/20 0.64
RAB9A P51151 2/20 0.64
CDK1 P06493 3/20 0.63
CCNB2 O95067 2/20 0.63
CCNB1 P14635 2/20 0.63
CCNB3 Q8WWL7 2/20 0.63
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 2/20 0.62
JAK2 O60674 1/20 0.59
JAK1 P23458 1/20 0.59
CDK2 P24941 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57

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
6-Benzylaminopurine SCHEMBL37357 0.81 LMNA (0.62) EGFRGALR3NR2F2RAB9ACDK1
6-Benzylaminopurine SCHEMBL29772173 0.81 LMNA (0.62) EGFRGALR3NR2F2RAB9ACDK1
6-Benzylaminopurine SCHEMBL28824679 0.81 LMNA (0.62) EGFRGALR3NR2F2RAB9ACDK1
SCHEMBL6837710 0.81 EGFR (1.00) EGFRGALR3NR2F2RAB9ACDK1
6-Benzylaminopurine SCHEMBL218732 0.80 LMNA (0.61) EGFRGALR3NR2F2RAB9ACDK1
6-Benzylaminopurine SCHEMBL8378677 0.80 LMNA (0.61) EGFRGALR3NR2F2RAB9ACDK1
6-Benzylaminopurine SCHEMBL11477799 0.80 LMNA (0.61) EGFRGALR3NR2F2RAB9ACDK1
SCHEMBL3239167 0.79 CDK1 (1.00) EGFRCDK1CCNB2CCNB1CCNB3
SCHEMBL13191911 0.79 AURKA (0.62) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL14778602 0.79 CSF1R (0.54) EGFRGALR3NR2F2RAB9ACDK1

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 EGFR 706/4885GALR3 661/4885NR2F2 3608/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP EGFR 4049/4885GALR3 2900/4885NR2F2 2410/4885
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels TYMP, TTR, TPMT EGFR 1562/4885GALR3 3254/4885NR2F2 2455/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT EGFR 4428/4885GALR3 3618/4885NR2F2 2340/4885
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 EGFR 1336/4885GALR3 3635/4885NR2F2 2602/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP EGFR 4049/4885GALR3 2900/4885NR2F2 2410/4885

“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.