SCHEMBL2197137

SCHEMBL2197137

Clc1ccc(Nc2nnc(Nc3ccc4ncsc4c3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
PRKD1 Q15139 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
KDR P35968 8/20 0.46
FLT1 P17948 6/20 0.46
SYK P43405 1/20 0.46
CIT O14578 1/20 0.45
EGFR P00533 1/20 0.45
HLA-A P04439 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
RPS6KB1 P23443 1/20 0.45
FLT4 P35916 1/20 0.45
FRK P42685 1/20 0.45

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 0.92 TGFBR1 (0.56) TGFBR1PRKD1KDRSYKEGFR
SCHEMBL2200375 0.86 MAPT (0.50) TGFBR1PRKD1KDRFLT1SYK
SCHEMBL2203187 0.86 NPC1 (0.46) TGFBR1PRKD1MEN1NPC1RAB9A
SCHEMBL4035715 0.83 IKBKB (0.44) TGFBR1PRKD1MEN1NPC1RAB9A
SCHEMBL2202465 0.82 EGFR (0.61) TGFBR1PRKD1KDREGFR
SCHEMBL2198086 0.81 TGFBR1 (0.52) TGFBR1PRKD1MEN1NPC1RAB9A
SCHEMBL2202398 0.80 IKBKB (0.47) TGFBR1PRKD1KDRSYKLRRK2
SCHEMBL2197036 0.80 ABCG2 (0.54) TGFBR1PRKD1MEN1NPC1RAB9A
SCHEMBL2202747 0.79 TGFBR1 (0.45) TGFBR1PRKD1NPC1RAB9AKDR
SCHEMBL4564496 0.78 CSNK2A1 (0.40) TGFBR1PRKD1MEN1NPC1RAB9A

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 2525/4885MEN1 3778/4885

“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.