SCHEMBL5256103

SCHEMBL5256103

CCOC(=O)/C(C#N)=C/Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 2/20 0.69
DHODH Q02127 3/20 0.67
NPC1 O15118 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
PKM P14618 1/20 0.55
CCR6 P51684 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GLO1 Q04760 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL5256107 1.00 KDM4E (0.69) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL4742571 0.86 DHODH (0.64) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL1892085 0.86 ALDH1A1 (0.59) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL16522194 0.86 ALDH1A1 (0.59) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL1892083 0.86 ALDH1A1 (0.59) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL11806470 0.83 DHODH (0.76) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL11806476 0.83 DHODH (0.76) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL4964597 0.82 DHODH (0.57) KDM4EALDH1A1KMT2ALMNADHODH
SCHEMBL21457752 0.81 ALDH1A1 (1.00) KDM4EALDH1A1KMT2ALMNAHPGD
SCHEMBL11450434 0.81 ALDH1A1 (1.00) KDM4EALDH1A1KMT2ALMNAHPGD

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
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP disclosed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 US disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 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-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 KDM4E 1875/4885ALDH1A1 4705/4885KMT2A 1381/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 KDM4E 1875/4885ALDH1A1 4705/4885KMT2A 1381/4885

“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.