SCHEMBL5343560

SCHEMBL5343560

CCCCNC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.66
▸ BRAF P15056 3/20 0.66
▸ HSD17B10 Q99714 2/20 0.57
▸ GSK3B P49841 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CSNK1D P48730 1/20 0.51
▸ HDAC3 O15379 5/20 0.51
▸ HDAC4 P56524 5/20 0.51
▸ HDAC1 Q13547 5/20 0.51
▸ HDAC7 Q8WUI4 5/20 0.51
▸ HDAC2 Q92769 5/20 0.51
▸ HDAC10 Q969S8 5/20 0.51
▸ HDAC11 Q96DB2 5/20 0.51
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC6 Q9UBN7 5/20 0.51
▸ HDAC9 Q9UKV0 5/20 0.51
▸ HDAC5 Q9UQL6 5/20 0.51
▸ TEK Q02763 3/20 0.51

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
SCHEMBL5341988 0.83 KDR (0.76) RAF1BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL5346634 0.79 NPC1 (0.66) HSD17B10NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL5352456 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL16628059 0.75 RAF1 (0.59) RAF1BRAFGSK3BTEKKDR
SCHEMBL3605356 0.75 MAPT (0.67) RAF1BRAFHSD17B10NPC1RAB9A
SCHEMBL5346872 0.74 KDR (0.83) RAF1BRAFHSD17B10NPC1RAB9A
SCHEMBL5899273 0.73 CDK8 (0.63) RAF1BRAFGSK3BTEKKDR
SCHEMBL15140972 0.72 RAF1 (0.70) RAF1BRAFGSK3BHDAC3HDAC4
SCHEMBL21568361 0.72 DYRK1A (0.64) RAF1BRAFHSD17B10NPC1RAB9A
SCHEMBL26077943 0.72 KDR (0.67) RAF1BRAFGSK3BSMN1; SMN2TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US claimed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 — — EP claimed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 — — WO 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 RAF1 764/4885BRAF 401/4885HSD17B10 2836/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 RAF1 764/4885BRAF 401/4885HSD17B10 2836/4885

“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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