SCHEMBL2943785

SCHEMBL2943785

Clc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.79
MKNK1 Q9BUB5 2/20 0.76
NTRK1 P04629 4/20 0.60
NTRK3 Q16288 4/20 0.60
NTRK2 Q16620 4/20 0.60
IKBKB O14920 1/20 0.58
MAPK10 P53779 1/20 0.58

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
SCHEMBL13223409 0.90 MKNK1 (0.73) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL13223377 0.89 FYN (0.64) FYNMKNK1
SCHEMBL2943531 0.89 FYN (0.76) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL1055387 0.89 FYN (0.82) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2944601 0.89 FYN (0.76) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL18613504 0.88 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL30521811 0.88 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2948971 0.88 FYN (0.84) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL3037765 0.88 MKNK1 (0.77) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL13223397 0.87 MKNK1 (0.76) FYNMKNK1NTRK1NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
WO-2007025540-A2 SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES AS KINASE INHIBITORS, THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-08 WO disclosed
WO-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 FYN 421/4885MKNK1 144/4885NTRK1 486/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN FYN 3/4885MKNK1 816/4885NTRK1 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.