SCHEMBL4035827

SCHEMBL4035827

Brc1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3sccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 3/20 0.46
LRRK2 Q5S007 1/20 0.42
RIPK2 O43353 7/20 0.41
RIPK3 Q9Y572 5/20 0.41
TGFBR1 P36897 1/20 0.41
PRKD1 Q15139 1/20 0.40
SYK P43405 2/20 0.38
RIPK1 Q13546 2/20 0.37
CSNK2A1 P68400 1/20 0.37
TOP2A P11388 1/20 0.36

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 0.93 LRRK2 (0.47) EGFRLRRK2RIPK2RIPK3TGFBR1
SCHEMBL2203187 0.88 NPC1 (0.46) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL12259280 0.88 LRRK2 (0.47) EGFRLRRK2RIPK2RIPK3TGFBR1
SCHEMBL2202126 0.82 DYRK3 (0.48) EGFRLRRK2RIPK2RIPK3TGFBR1
SCHEMBL4035683 0.82 DYRK3 (0.48) MEN1NPC1RAB9AKMT2ALRRK2
SCHEMBL4035491 0.80 PRKD1 (0.45) EGFRLRRK2RIPK2RIPK3TGFBR1
SCHEMBL2229449 0.78 TGFBR1 (0.56) EGFRLRRK2RIPK2RIPK3TGFBR1
SCHEMBL2202465 0.77 EGFR (0.61) EGFRTGFBR1PRKD1
SCHEMBL2197137 0.74 TGFBR1 (0.50) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL4035611 0.72 LRRK2 (0.47) 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 2 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

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 MEN1 3928/4885NPC1 4689/4885RAB9A 3748/4885

“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.