SCHEMBL3344799

SCHEMBL3344799

Nc1cnc(N2CCOCC2)c(-n2ccnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.47
EGLN1 Q9GZT9 2/20 0.47
EGLN3 Q9H6Z9 2/20 0.47
HIF1AN Q9NWT6 1/20 0.45
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 2/20 0.36
CHEK1 O14757 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
RAF1 P04049 1/20 0.35
NOTUM Q6P988 2/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CG P48736 1/20 0.34
ACP1 P24666 1/20 0.34
HTT P42858 1/20 0.34
MTOR P42345 2/20 0.34

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
SCHEMBL3388363 0.82 HTT (0.51) GAAKDM4EPIK3CAPIK3R1SMN1; SMN2
SCHEMBL27883277 0.81 GAA (0.47) GAAKDM4EPIK3CAPIK3R1SMN1; SMN2
SCHEMBL3344520 0.79 ALDH1A1 (0.47) EGLN2EGLN1EGLN3HIF1ANSMN1; SMN2
SCHEMBL14923451 0.79 GAA (0.43) GAAKDM4EPIK3CAPIK3R1SMN1; SMN2
SCHEMBL14909504 0.76 EGLN2 (0.56) EGLN2EGLN1EGLN3HIF1ANPIK3CA
SCHEMBL20242917 0.76 EGLN2 (0.42) EGLN2EGLN1EGLN3HIF1ANGAA
SCHEMBL20242916 0.75 EGLN2 (0.42) EGLN2EGLN1EGLN3HIF1ANGAA
SCHEMBL14908653 0.74 TDO2 (0.38) GAAKDM4EMAPTNOTUM
SCHEMBL4672749 0.74 KDM4E (0.49) GAAKDM4EPIK3CAPIK3R1SMN1; SMN2
Hydrochloric Acid SCHEMBL5378200 0.72 KDM4E (0.47) GAAKDM4EPIK3CAPIK3R1SMN1; SMN2

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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK EGLN2 3868/4885EGLN1 2819/4885EGLN3 3378/4885

“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.