SCHEMBL5341988

SCHEMBL5341988

CCCCNC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2s1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.76
▸ TEK Q02763 11/20 0.76
▸ CSNK1D P48730 1/20 0.59
▸ RAF1 P04049 2/20 0.54
▸ RIPK3 Q9Y572 4/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RIPK1 Q13546 2/20 0.51
▸ BRAF P15056 1/20 0.50

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
SCHEMBL5343542 0.86 KDR (1.00) KDRTEKCSNK1DRAF1RIPK3
Hydrochloric Acid SCHEMBL29710729 0.86 KDR (0.98) KDRTEKCSNK1DRAF1RIPK3
SCHEMBL5342493 0.83 KDR (1.00) KDRTEKCSNK1DRAF1RIPK3
SCHEMBL16317401 0.83 KDR (0.79) KDRTEKCSNK1DRAF1RIPK3
SCHEMBL5343560 0.83 RAF1 (0.66) KDRTEKCSNK1DRAF1RIPK3
SCHEMBL14375384 0.83 KDR (0.78) KDRTEKCSNK1DRAF1
SCHEMBL5346634 0.78 NPC1 (0.66) NPC1RAB9ASMN1; SMN2
SCHEMBL5346872 0.78 KDR (0.83) KDRTEKCSNK1DRAF1NPC1
SCHEMBL5899314 0.76 KDR (0.67) KDRTEKRAF1BRAF
SCHEMBL5349296 0.76 KDR (0.77) KDRTEKCSNK1DRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US claimed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 — — EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 — — WO 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885CSNK1D 3454/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885CSNK1D 3454/4885

“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.

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