SCHEMBL5256236

SCHEMBL5256236

N#Cc1cnc2cc(Br)ccc2c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.77
RAF1 P04049 10/20 0.77
EGFR P00533 3/20 0.58
ERBB2 P04626 3/20 0.58
GAK O14976 1/20 0.53
MAPK13 O15264 1/20 0.52
SRC P12931 1/20 0.52
MAP3K8 P41279 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6071665 0.91 MAP2K1 (0.77) MAP2K1RAF1EGFRERBB2GAK
SCHEMBL5253356 0.87 MAP2K1 (0.59) MAP2K1RAF1EGFRERBB2GAK
SCHEMBL27707570 0.86 MAP2K1 (1.00) MAP2K1RAF1ERBB2MAPK13SRC
SCHEMBL5253113 0.85 MAP2K1 (0.82) MAP2K1RAF1EGFRERBB2MAPK13
SCHEMBL5257625 0.84 MAP2K1 (0.67) MAP2K1RAF1EGFRERBB2GAK
SCHEMBL5254847 0.83 MAP2K1 (0.73) MAP2K1RAF1EGFRERBB2MAPK13
SCHEMBL27709831 0.82 MAP2K1 (0.78) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL22334734 0.82 MAP2K1 (0.71) MAP2K1RAF1EGFRERBB2MAPK3
SCHEMBL6382750 0.81 MAP2K1 (1.00) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL30301819 0.81 MAP2K1 (0.62) MAP2K1RAF1EGFRERBB2GAK

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 MAP2K1 568/4885RAF1 152/4885EGFR 527/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 MAP2K1 568/4885RAF1 152/4885EGFR 527/4885

“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.