SCHEMBL14923451

SCHEMBL14923451

Nc1cnc(N2CCOCC2)c(-n2nccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 8/20 0.39
RAF1 P04049 1/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CG P48736 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3R1 P27986 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTOR P42345 4/20 0.37
DHFR P00374 1/20 0.36
LGMN Q99538 1/20 0.36

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
SCHEMBL27883277 0.87 GAA (0.47) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL3388363 0.82 HTT (0.51) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL3344799 0.79 EGLN2 (0.47) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL4672749 0.79 KDM4E (0.49) GAAKDM4EMAPTSMN1; SMN2PIK3CA
Hydrochloric Acid SCHEMBL5378200 0.78 KDM4E (0.47) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL3544476 0.76 MAPT (0.54) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL1724026 0.76 KDM4E (0.51) GAAKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL2144542 0.76 KDM4E (0.46) GAAKDM4EMAPTPIK3CARAF1
SCHEMBL14910449 0.76 ALDH1A1 (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7227123 0.76 PIK3CA (0.49) GAAKDM4EMAPTSMN1; SMN2PIK3CA

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 7 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

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 GAA 3096/4885KDM4E 2420/4885MAPT 4186/4885

“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.