SCHEMBL5253133

SCHEMBL5253133

COc1cc2c(=O)c(C#N)c[nH]c2cc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
HTR2B P41595 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL5253466 0.87 STK4 (0.47) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL29579912 0.83 STK4 (0.49) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL27021626 0.83 STK4 (0.49) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL4765036 0.82 KDM4E (0.47) ALDH1A1KDM4EMAPK1MTNR1AMTNR1B
SCHEMBL13915677 0.81 POLB (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6184223 0.77 HTR1A (0.47) KDM4EMAPK1MTNR1AMTNR1BPOLB
SCHEMBL5254479 0.76 CCNT1 (0.42) ALDH1A1KDM4EMAPK1HPGDPOLB
SCHEMBL18343649 0.75 XDH (0.54) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL5256927 0.75 IMPDH2 (0.55) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL11798000 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAEGFR

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 12 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
EP-1268487-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2003-11-26 EP disclosed
US-6608048-B2 Treatment of cancer, polycystic kidney disease and colonic polyps in mammals WYETH HOLDINGS 2003-08-19 US disclosed
US-20030065180-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-04-03 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
EP-1268487-A1 TRICYCLIC 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-2001072758-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO 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 (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-20030065180-A1 Tricyclic protein kinase inhibitors PKD1, PKD2, PKN1 ALDH1A1 4115/4885KDM4E 2291/4885MAPK1 26/4885
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 ALDH1A1 4705/4885KDM4E 1875/4885MAPK1 17/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 ALDH1A1 4705/4885KDM4E 1875/4885MAPK1 17/4885

“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.