SCHEMBL413588

SCHEMBL413588

Cc1cccc(-c2nc3c(C)cccn3c2-c2ccnc(S(C)(=O)=O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
MAPT P10636 4/20 0.40
EGFR P00533 1/20 0.40
CYP3A4 P08684 1/20 0.40
BRAF P15056 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK10 P53779 1/20 0.40
KCNH2 Q12809 1/20 0.40
ERBB4 Q15303 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TGFBR1 P36897 7/20 0.37
KDR P35968 5/20 0.37
MAPK14 Q16539 5/20 0.37
CSNK1E P49674 1/20 0.36
RIPK2 O43353 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL410999 0.84 CDK2 (0.47) GAAMAPTEGFRCYP3A4BRAF
SCHEMBL413556 0.82 CDK2 (0.50) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL5791851 0.81 CSNK1E (0.52) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL409797 0.80 EGFR (0.41) GAAMAPTEGFRCYP3A4BRAF
SCHEMBL5794919 0.80 HTR6 (0.39) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL5793775 0.79 MAPK14 (0.50) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL5791586 0.78 TGFBR1 (0.59) GAAMAPTTGFBR1KDRMAPK14
SCHEMBL3567699 0.77 CCR1 (0.53) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL412478 0.77 MAP3K14 (0.48) GAAMAPTEGFRCYP3A4BRAF
SCHEMBL27803615 0.76 EGFR (0.42) EGFRCYP3A4BRAFJAK3MAPK10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US claimed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP claimed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO claimed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US disclosed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 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 (1 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-20060135517-A1 Imidazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 GAA 1920/4885MAPT 4434/4885EGFR 533/4885

“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.