SCHEMBL5825404

SCHEMBL5825404

COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CCCCC4)cc3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 17/20 1.00
KIT P10721 8/20 1.00
MET P08581 1/20 0.64
KDR P35968 7/20 0.62
FLT3 P36888 1/20 0.58
AURKB Q96GD4 1/20 0.58
AXL P30530 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL5825514 0.99 PDGFRA (0.98) PDGFRAKITMETKDRFLT3
SCHEMBL7480525 0.91 PDGFRA (0.82) PDGFRAKITKDRFLT3AURKB
SCHEMBL5825367 0.90 PDGFRA (0.81) PDGFRAKITMETKDRFLT3
SCHEMBL7476534 0.90 PDGFRA (0.81) PDGFRAKITKDRFLT3AURKB
SCHEMBL5825667 0.88 PDGFRA (0.78) PDGFRAKITMETKDRAXL
SCHEMBL5824945 0.87 PDGFRA (0.77) PDGFRAKITMETKDRAXL
SCHEMBL5825554 0.87 PDGFRA (0.77) PDGFRAKITMETKDRAXL
SCHEMBL1877752 0.87 PDGFRA (0.77) PDGFRAKITMETKDRFLT3
SCHEMBL5824640 0.86 PDGFRA (0.76) PDGFRAKITMETKDRNPC1
SCHEMBL5824954 0.86 PDGFRA (0.75) PDGFRAKITMETKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US claimed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA PDGFRA 1/4885KIT 401/4885MET 84/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA PDGFRA 1/4885KIT 499/4885MET 40/4885

“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.