SCHEMBL13837121

SCHEMBL13837121

Nc1cc2ncnc-2[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMO O15229 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ LTA4H P09960 1/20 0.32

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
SCHEMBL16794624 0.76 IDO1 (0.31) IDO1
SCHEMBL8533579 0.74 IDO1 (0.33) KMT2AKMODYRK1AIDO1
SCHEMBL29600612 0.64 PDPK1 (0.46) ASIC3ALDH1A1KMT2AMKNK1MKNK2
SCHEMBL1060179 0.63 — —
Hydrochloric Acid SCHEMBL10688336 0.61 — —
Hydrochloric Acid SCHEMBL6618909 0.61 — —
SCHEMBL1702320 0.60 SMN1; SMN2 (0.47) ALDH1A1KMT2AMKNK1MKNK2MEN1
SCHEMBL23514354 0.59 — —
SCHEMBL64373 0.59 — —
SCHEMBL17293092 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858993-B1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2018-01-10 — — 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
EP-2714692-B1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-03-22 — — EP disclosed
US-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
CN-104487440-A Amino-substituted imidazopyridazines BAYER IP GMBH 2015-04-01 — — CN disclosed
CN-104321326-A Amino-substituted imidazopyridazines Bayer Pharma AG 2015-01-28 — — CN disclosed
CN-104114559-A Amino-substituted imidazopyridazines BAYER IP GMBH 2014-10-22 — — CN disclosed
US-20140288069-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-25 — — US 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
EP-2714692-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2014-04-09 — — EP disclosed
CN-103717604-A Substituted aminoimidazopyridazines BAYER IP GMBH 2014-04-09 — — CN disclosed
EP-2710004-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-03-26 — — EP disclosed
EP-2710004-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-03-26 — — EP disclosed
CN-103687858-A Amino-substituted imidazopyridazines as MKNK1 kinase inhibitors BAYER IP GMBH 2014-03-26 — — CN disclosed
WO-2012163942-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 — — WO disclosed
WO-2012163942-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 — — WO disclosed
WO-2012156367-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-22 — — WO disclosed
WO-2012156367-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-22 — — 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-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS VEGFA, PGF, FLT1 ASIC3 4692/4885ALDH1A1 1490/4885KMT2A 2669/4885
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES CCND2, CCND1, VEGFA ASIC3 4765/4885ALDH1A1 316/4885KMT2A 1685/4885
US-20140288069-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS MKNK1, MKNK2, MAP4K5 ASIC3 3953/4885ALDH1A1 2220/4885KMT2A 550/4885

“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.

Send feedback