SCHEMBL4035491

SCHEMBL4035491

Cc1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3sccc23)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.45
LRRK2 Q5S007 1/20 0.43
RIPK2 O43353 4/20 0.41
RIPK3 Q9Y572 2/20 0.41
TGFBR1 P36897 1/20 0.41
CSNK2A1 P68400 2/20 0.38
RIPK1 Q13546 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KDR P35968 1/20 0.36
IKBKB O14920 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL12259280 0.89 LRRK2 (0.47) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL4039259 0.87 LRRK2 (0.47) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL4035683 0.83 DYRK3 (0.48) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL2203187 0.80 NPC1 (0.46) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL4035827 0.80 MEN1 (0.46) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL2202126 0.77 DYRK3 (0.48) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL2229449 0.73 TGFBR1 (0.56) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL2198086 0.70 TGFBR1 (0.52) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL4035611 0.69 LRRK2 (0.47) PRKD1LRRK2RIPK2RIPK3TGFBR1
SCHEMBL21542003 0.67 KDR (0.54) IRAK4SMN1; SMN2LMNAMAPTHTT

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 PRKD1 1569/4885LRRK2 3131/4885RIPK2 2038/4885

“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.