SCHEMBL5259233

SCHEMBL5259233

N#Cc1c[nH]c2cc(I)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.42
IMPDH1 P20839 1/20 0.42
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HASPIN Q8TF76 1/20 0.39
DYRK1A Q13627 1/20 0.39
DPYD Q12882 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.34
MCL1 Q07820 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHEK1 O14757 2/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
XDH P47989 1/20 0.33
PRKAB2 O43741 1/20 0.33

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
SCHEMBL3882080 0.87 IMPDH2 (0.46) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL28774173 0.86 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL5253807 0.81 CHEK1 (0.49) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL5414238 0.81 GPR84 (0.47) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL31102359 0.81 CHEK1 (0.49) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL13202452 0.81 NR4A2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL30605506 0.77 CDK4 (0.56) IMPDH2KDM4EALDH1A1CDK4CCND1
SCHEMBL1897142 0.77 CDK4 (0.56) IMPDH2KDM4EALDH1A1CDK4CCND1
SCHEMBL5010332 0.76 IMPDH2 (0.72) IMPDH2IMPDH1DYRK1ACA1CA2
SCHEMBL5255650 0.76 PKM (0.49) ALDH1A1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100439340-C 3-cyanoquinolines, 3-cyano-1, 6-naphthyridines, and 3-cyano-1, 7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2008-12-03 CN disclosed
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
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN 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 IMPDH2 3688/4885IMPDH1 2825/4885CCNT1 445/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 IMPDH2 3688/4885IMPDH1 2825/4885CCNT1 445/4885

“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.