SCHEMBL3039017

SCHEMBL3039017

c1ccc(CNc2ccc3ncc(-c4ccncc4)n3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 1.00
FYN P06241 13/20 0.91
NTRK1 P04629 3/20 0.71
NTRK3 Q16288 3/20 0.71
NTRK2 Q16620 3/20 0.71
JAK2 O60674 1/20 0.71
ABL1 P00519 1/20 0.71
INSR P06213 1/20 0.71
LCK P06239 1/20 0.71
CSF1R P07333 1/20 0.71
LYN P07948 1/20 0.71
RET P07949 1/20 0.71
IGF1R P08069 1/20 0.71
MET P08581 1/20 0.71
ROS1 P08922 1/20 0.71
PDGFRB P09619 1/20 0.71
FGR P09769 1/20 0.71
KIT P10721 1/20 0.71
SRC P12931 1/20 0.71
BRAF P15056 1/20 0.71

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
SCHEMBL13234450 0.95 FYN (1.00) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL3041871 0.94 FYN (0.88) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL3036459 0.90 MKNK1 (0.82) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL3034186 0.88 MKNK1 (0.78) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL2946475 0.88 FYN (0.79) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL13234264 0.88 FYN (0.78) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL13223335 0.88 MKNK1 (0.78) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL16468585 0.88 PIM1 (0.78) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL3037765 0.87 MKNK1 (0.77) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL1053535 0.86 FYN (0.80) MKNK1FYNNTRK1NTRK3NTRK2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US claimed
US-9783543-B2 Aminoimidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-10 US disclosed
US-9783543-B2 Aminoimidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-10 US disclosed
US-9783543-B2 Aminoimidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-10 US disclosed
EP-2920176-B1 AMINOIMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS Bayer Pharma AG (DE) 2017-09-13 EP disclosed
EP-2920176-B1 AMINOIMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS Bayer Pharma AG (DE) 2017-09-13 EP disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
EP-2714692-B1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-03-22 EP disclosed
US-20140288069-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-25 US disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 US disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 US disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 US disclosed
WO-2014076162-A1 AMINOIMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-22 WO disclosed
EP-2723748-A1 HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2014-04-30 EP disclosed
WO-2012175591-A1 HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed
WO-2012175591-A1 HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed
WO-2012163942-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 WO disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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 (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-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES CCND2, CCND1, VEGFA MKNK1 3763/4885FYN 2261/4885NTRK1 1946/4885
US-20140288069-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS MKNK1, MKNK2, MAP4K5 MKNK1 1/4885FYN 884/4885NTRK1 447/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN MKNK1 816/4885FYN 3/4885NTRK1 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.