SCHEMBL2992876

SCHEMBL2992876

Cc1cc(CNc2nc(N)nc(Cl)c2N)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC29A1 Q99808 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PRKCQ Q04759 2/20 0.38
EGFR P00533 1/20 0.38
APP P05067 2/20 0.37
PDE5A O76074 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
SCHEMBL2846685 0.85 MAPT (0.37) MAPTTDP1L3MBTL1SLC29A1SMN1; SMN2
SCHEMBL4045936 0.79 EGFR (0.53) MAPTTDP1ALDH1A1EGFRAPP
SCHEMBL2980671 0.76 ALDH1A1 (0.38) MAPTTDP1L3MBTL1SLC29A1SMN1; SMN2
SCHEMBL13322079 0.74 HIF1A (0.41) HIF1AAPP
SCHEMBL15277464 0.73 APP (0.63) MAPTTDP1ALDH1A1EGFRAPP
SCHEMBL1828406 0.72 MAPT (0.47) MAPTTDP1L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL13267383 0.72 MAPT (0.47) MAPTTDP1L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL3422229 0.71 APP (0.60) SMN1; SMN2EGFRAPPPDE5A
SCHEMBL3391705 0.71 APP (0.61) CYP2D6NPC1ALDH1A1HTTEGFR
SCHEMBL4916234 0.70 SLC29A1 (0.51) SLC29A1NPC1ALDH1A1HTTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US disclosed
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US disclosed
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US disclosed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 US disclosed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 US disclosed
EP-2117313-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2009-11-18 EP disclosed
WO-2008088927-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-07-24 WO disclosed
WO-2008088927-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-07-24 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 (2 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-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making CYP3A7, CYP2D6, CYP3A5 MAPT 980/4885TDP1 164/4885L3MBTL1 2986/4885
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME ADORA2A, P2RY1, P2RY6 MAPT 4330/4885TDP1 938/4885L3MBTL1 4761/4885

“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.