SCHEMBL2202126

SCHEMBL2202126

c1nc2ccc(Nc3nnc(Nc4ccc5c(c4)CCC5)c4ccsc34)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
EGFR P00533 5/20 0.45
LCK P06239 2/20 0.40
LRRK2 Q5S007 1/20 0.40
TGFBR1 P36897 1/20 0.38
PRKD1 Q15139 1/20 0.38
CACNA2D1 P54289 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
RIPK2 O43353 4/20 0.36
RIPK3 Q9Y572 3/20 0.36
TOP2A P11388 1/20 0.36
SYK P43405 2/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4039259 0.89 LRRK2 (0.47) EGFRLRRK2TGFBR1PRKD1RIPK2
SCHEMBL12259280 0.82 LRRK2 (0.47) EGFRLRRK2TGFBR1PRKD1IKBKB
SCHEMBL4035827 0.82 MEN1 (0.46) EGFRLRRK2TGFBR1PRKD1RIPK2
SCHEMBL2203187 0.82 NPC1 (0.46) EGFRLRRK2TGFBR1PRKD1IKBKB
SCHEMBL4035683 0.78 DYRK3 (0.48) DYRK3CLK1CLK2DYRK1ADYRK2
SCHEMBL4035491 0.77 PRKD1 (0.45) EGFRLRRK2TGFBR1PRKD1IKBKB
SCHEMBL2229449 0.74 TGFBR1 (0.56) EGFRLRRK2TGFBR1PRKD1IKBKB
SCHEMBL2197137 0.69 TGFBR1 (0.50) EGFRLRRK2TGFBR1PRKD1IKBKB
SCHEMBL4035611 0.69 LRRK2 (0.47) LRRK2TGFBR1PRKD1IKBKBCHUK
SCHEMBL2202398 0.67 IKBKB (0.47) DYRK3CLK1CLK2DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 US claimed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP disclosed
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP disclosed
US-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-05-13 US disclosed
US-6689883-B1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-02-10 US disclosed
EP-1228063-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-08-07 EP disclosed
WO-2001023375-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-04-05 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 (4 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-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity VEGFA, PGF, FLT1 DYRK3 3370/4885CLK1 2080/4885CLK2 964/4885
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 DYRK3 572/4885CLK1 1615/4885CLK2 990/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 DYRK3 2991/4885CLK1 2129/4885CLK2 1068/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB DYRK3 3595/4885CLK1 3279/4885CLK2 2681/4885

“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.