SCHEMBL2229449

SCHEMBL2229449

c1ccc2c(Nc3ccc4ncsc4c3)nnc(Nc3ccc4ncsc4c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.56
PRKD1 Q15139 1/20 0.55
SYK P43405 2/20 0.51
LRRK2 Q5S007 1/20 0.50
RIPK2 O43353 3/20 0.49
RIPK3 Q9Y572 2/20 0.49
KDR P35968 5/20 0.46
IKBKB O14920 2/20 0.46
INSR P06213 2/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
TEK Q02763 2/20 0.46
CSF1R P07333 1/20 0.46
EGFR P00533 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
RIPK1 Q13546 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL2197137 0.92 TGFBR1 (0.50) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL2202465 0.90 EGFR (0.61) TGFBR1PRKD1KDREGFR
SCHEMBL2200375 0.89 MAPT (0.50) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL2198086 0.88 TGFBR1 (0.52) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL2197036 0.87 ABCG2 (0.54) TGFBR1PRKD1LRRK2RIPK2KDR
SCHEMBL2202747 0.86 TGFBR1 (0.45) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL2202398 0.85 IKBKB (0.47) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL4039259 0.84 LRRK2 (0.47) TGFBR1PRKD1SYKLRRK2RIPK2
SCHEMBL6598802 0.84 FLT1 (0.64) KDRPDGFRBPDGFRACSF1REGFR
SCHEMBL2201532 0.82 KDR (0.47) TGFBR1PRKD1SYKLRRK2RIPK2

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
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US claimed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 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-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 TGFBR1 1039/4885PRKD1 2525/4885SYK 2574/4885

“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.