SCHEMBL4035683

SCHEMBL4035683

Cc1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3sccc23)cc1F

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
LRRK2 Q5S007 1/20 0.44
RIPK2 O43353 4/20 0.42
RIPK3 Q9Y572 2/20 0.42
TGFBR1 P36897 1/20 0.42
PRKD1 Q15139 1/20 0.42
PIP4K2A P48426 1/20 0.41
CSNK2A1 P68400 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
SYK P43405 3/20 0.37

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) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL2198086 0.88 TGFBR1 (0.52) DYRK3CLK1CLK2DYRK1ADYRK2
SCHEMBL12259280 0.86 LRRK2 (0.47) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL4035491 0.83 PRKD1 (0.45) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL4035827 0.82 MEN1 (0.46) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL2203187 0.82 NPC1 (0.46) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL2202126 0.78 DYRK3 (0.48) DYRK3CLK1CLK2DYRK1ADYRK2
SCHEMBL2229449 0.74 TGFBR1 (0.56) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL4035611 0.69 LRRK2 (0.47) LRRK2RIPK2RIPK3TGFBR1PRKD1
SCHEMBL2197137 0.69 TGFBR1 (0.50) LRRK2RIPK2RIPK3TGFBR1PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660077-B1 INDOL-6 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP claimed
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
EP-1467736-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2004-10-20 EP claimed
WO-2003059354-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 DYRK3 572/4885CLK1 1615/4885CLK2 990/4885

“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.