SCHEMBL2198086

SCHEMBL2198086

Cc1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3ccccc23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.52
PRKD1 Q15139 1/20 0.51
DYRK3 O43781 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
LRRK2 Q5S007 1/20 0.47
PIP4K2A P48426 1/20 0.43
SYK P43405 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4035683 0.88 DYRK3 (0.48) TGFBR1PRKD1DYRK3CLK1CLK2
SCHEMBL2229449 0.88 TGFBR1 (0.56) TGFBR1PRKD1LRRK2SYKRIPK2
SCHEMBL2197137 0.81 TGFBR1 (0.50) TGFBR1PRKD1LRRK2SYKMAPT
SCHEMBL2200375 0.80 MAPT (0.50) TGFBR1PRKD1LRRK2SYKMAPT
SCHEMBL2202465 0.79 EGFR (0.61) TGFBR1PRKD1KDR
SCHEMBL2197036 0.78 ABCG2 (0.54) TGFBR1PRKD1DYRK3CLK1DYRK1A
SCHEMBL2202747 0.77 TGFBR1 (0.45) TGFBR1PRKD1LRRK2SYKNPC1
SCHEMBL2202398 0.74 IKBKB (0.47) TGFBR1PRKD1DYRK3CLK1CLK2
SCHEMBL2201532 0.74 KDR (0.47) TGFBR1PRKD1LRRK2SYKMEN1
SCHEMBL4039259 0.74 LRRK2 (0.47) TGFBR1PRKD1LRRK2SYKRIPK2

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 2525/4885DYRK3 2991/4885

“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.