SCHEMBL9694093

SCHEMBL9694093

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.60
▸ LMNA P02545 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 1/20 0.39

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 0.90 SMN1; SMN2 (0.48) GLALMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL3126308 0.88 GLA (0.57) GLALMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL1601447 0.88 GLA (0.57) GLALMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL19706848 0.88 GLA (0.57) GLALMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL15426466 0.81 SMN1; SMN2 (0.59) GLALMNAL3MBTL1SMN1; SMN2TSHR
SCHEMBL9693862 0.80 LMNA (0.52) GLALMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL1699215 0.80 LMNA (0.61) GLALMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL1917376 0.78 GLA (0.52) GLALMNAL3MBTL1TP53TSHR
SCHEMBL6643658 0.77 SMN1; SMN2 (0.49) GLALMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL16563397 0.77 GLA (0.46) GLALMNAL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 — — EP disclosed
US-9527841-B2 Substituted pyrido[2,3-b]pyrazines as phosphodiesterase 2A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 — — US disclosed
US-20150158863-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-11 — — US disclosed
EP-2873669-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-05-20 — — EP disclosed
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 — — EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 — — US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 — — US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 — — US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 — — US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 — — US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 — — 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-20150158863-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A GLA 156/4885LMNA 3778/4885L3MBTL1 4523/4885

“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