SCHEMBL16563397

SCHEMBL16563397

COC(=O)CNc1ncc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ ALDH5A1 P51649 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 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
SCHEMBL16563522 0.84 SMN1; SMN2 (0.48) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563651 0.83 MAPT (0.48) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563629 0.83 LMNA (0.44) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563517 0.83 LMNA (0.44) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563588 0.83 LMNA (0.44) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16564262 0.80 L3MBTL1 (0.53) GLAMAPK1MAPTLMNAL3MBTL1
SCHEMBL16564097 0.80 LMNA (0.42) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563699 0.79 LMNA (0.41) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563853 0.77 JAK2 (0.47) GLAMAPK1MAPTPOLBLMNA
SCHEMBL16563854 0.77 MAPK1 (0.43) GLAMAPK1MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 — — US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 — — EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 — — US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 — — US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 — — US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 — — 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 (3 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A GLA 344/4885MAPK1 296/4885MAPT 487/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A GLA 344/4885MAPK1 296/4885MAPT 487/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A GLA 344/4885MAPK1 296/4885MAPT 487/4885

“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.

Send feedback