SCHEMBL2201532

SCHEMBL2201532

CCN(c1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3ccccc23)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
INSR P06213 3/20 0.47
TEK Q02763 3/20 0.47
TGFBR1 P36897 1/20 0.45
PRKD1 Q15139 1/20 0.44
CSF1R P07333 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
RIPK1 Q13546 1/20 0.41
SYK P43405 4/20 0.40
LRRK2 Q5S007 1/20 0.40
CFTR P13569 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
RIPK2 O43353 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 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
SCHEMBL2229449 0.82 TGFBR1 (0.56) KDRINSRTEKTGFBR1PRKD1
SCHEMBL2200375 0.82 MAPT (0.50) KDRINSRTEKTGFBR1PRKD1
SCHEMBL2197137 0.78 TGFBR1 (0.50) KDRTGFBR1PRKD1CSF1RPDGFRB
SCHEMBL2198086 0.74 TGFBR1 (0.52) KDRINSRTEKTGFBR1PRKD1
SCHEMBL2202465 0.74 EGFR (0.61) KDRTGFBR1PRKD1
SCHEMBL2197036 0.73 ABCG2 (0.54) KDRTGFBR1PRKD1PDGFRBPDGFRA
SCHEMBL2202398 0.72 IKBKB (0.47) KDRTGFBR1PRKD1SYKLRRK2
SCHEMBL6598802 0.71 FLT1 (0.64) KDRCSF1RPDGFRBPDGFRA
SCHEMBL2202747 0.70 TGFBR1 (0.45) KDRINSRTEKTGFBR1PRKD1
SCHEMBL4039259 0.69 LRRK2 (0.47) KDRINSRTEKTGFBR1PRKD1

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 KDR 6/4885INSR 1987/4885TEK 12/4885

“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.