SCHEMBL3215862

SCHEMBL3215862

Cc1cc(-c2ccc(CNCCCN3CCOCC3)cc2)cc(Cl)c1Nc1c(C#N)cnc2cc(-c3ccc(CNCCCN4CCOCC4)cc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.58
EGFR P00533 2/20 0.56
FYN P06241 2/20 0.56
MAP2K1 Q02750 1/20 0.56
ABL1 P00519 1/20 0.48
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
SYK P43405 1/20 0.48
MAP3K8 P41279 1/20 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
SCHEMBL6739314 0.95 SRC (0.57) SRCEGFRFYNMAP2K1ABL1
SCHEMBL3223428 0.94 SRC (0.59) SRCEGFRFYNMAP2K1
SCHEMBL3223162 0.91 SRC (0.58) SRCEGFRFYNMAP2K1MAP3K8
SCHEMBL3223410 0.88 SRC (0.69) SRCEGFRFYNMAP2K1ABL1
SCHEMBL3229332 0.86 SRC (0.56) SRCEGFRFYNMAP2K1ABL1
SCHEMBL5304147 0.86 SRC (0.49) SRCEGFRFYNMAP2K1MAP3K8
SCHEMBL3230492 0.84 SRC (0.82) SRCEGFRFYNMAP2K1ABL1
SCHEMBL3264832 0.83 SRC (0.49) SRCEGFRFYNMAP2K1
SCHEMBL3228673 0.83 LMNA (0.49) SRCEGFRFYNMAP2K1MAP3K8
SCHEMBL3215925 0.83 SRC (0.55) SRCEGFRFYNMAP2K1MAP3K8

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-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 claimed
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 claimed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US claimed
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH (US) 2010-03-18 US disclosed
WO-2010030835-A2 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH LLC (US) 2010-03-18 WO disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP 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
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 WO 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

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 SRC 237/4885EGFR 527/4885FYN 435/4885
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 SRC 2/4885EGFR 90/4885FYN 13/4885

“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.