SCHEMBL4205668

SCHEMBL4205668

O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ncnc3scc(-c4ccncc4)c23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
CNR1 P21554 10/20 0.61
FGFR1 P11362 5/20 0.55
FLT3 P36888 5/20 0.55
KIT P10721 5/20 0.55
PLK4 O00444 4/20 0.55
AURKA O14965 4/20 0.55
ROCK2 O75116 4/20 0.55
MAP4K4 O95819 4/20 0.55
LCK P06239 4/20 0.55
CSF1R P07333 4/20 0.55
LYN P07948 4/20 0.55
RET P07949 4/20 0.55
FLT1 P17948 4/20 0.55
RPS6KB1 P23443 4/20 0.55
AXL P30530 4/20 0.55
FLT4 P35916 4/20 0.55
FRK P42685 4/20 0.55
CLK2 P49760 4/20 0.55
BLK P51451 4/20 0.55

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
SCHEMBL4195736 0.93 KDR (0.67) KDRCNR1FGFR1FLT3KIT
SCHEMBL4205675 0.88 KIT (0.64) KDRFGFR1FLT3KITPLK4
SCHEMBL4195622 0.87 BRAF (0.59) KDRFGFR1FLT3KITPLK4
SCHEMBL4194989 0.86 BLM (0.54) KDRFGFR1FLT3KITPLK4
SCHEMBL4188378 0.85 BRAF (0.57) KDRFGFR1FLT3KITPLK4
SCHEMBL4192298 0.82 BRAF (0.53) KDRCSF1RBRAF
SCHEMBL4198556 0.82 CNR1 (0.62) CNR1TEKCNR2BRAF
SCHEMBL4199921 0.78 MEN1 (0.56) KDRCSF1RABL1JAK3BRAF
SCHEMBL30469267 0.77 CNR1 (1.00) CNR1CNR2
SCHEMBL20557649 0.77 CNR1 (1.00) CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 KDR 616/4885CNR1 2694/4885FGFR1 172/4885

“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.