SCHEMBL4039259

SCHEMBL4039259

c1nc2ccc(Nc3nnc(Nc4ccc5ncsc5c4)c4sccc34)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
TGFBR1 P36897 1/20 0.45
PRKD1 Q15139 1/20 0.44
SYK P43405 3/20 0.43
RIPK2 O43353 8/20 0.42
RIPK3 Q9Y572 4/20 0.42
RIPK1 Q13546 1/20 0.41
TOP2A P11388 1/20 0.40
EGFR P00533 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDR P35968 2/20 0.38
INSR P06213 1/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TEK Q02763 1/20 0.38

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
SCHEMBL4035827 0.93 MEN1 (0.46) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL12259280 0.93 LRRK2 (0.47) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL2203187 0.93 NPC1 (0.46) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL2202126 0.89 DYRK3 (0.48) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL4035683 0.89 DYRK3 (0.48) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL4035491 0.87 PRKD1 (0.45) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL2229449 0.84 TGFBR1 (0.56) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL4035611 0.77 LRRK2 (0.47) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL2197137 0.77 TGFBR1 (0.50) LRRK2TGFBR1PRKD1SYKRIPK2
SCHEMBL2202465 0.76 EGFR (0.61) TGFBR1PRKD1EGFRKDR

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 LRRK2 3131/4885TGFBR1 1547/4885PRKD1 1569/4885

“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.