SCHEMBL3931767

SCHEMBL3931767

CC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2ccc(Cl)c(C)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.54
▸ JAK2 O60674 2/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ PTPRG P23470 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ GSK3A P49840 1/20 0.43

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
SCHEMBL1940551 0.89 KDR (0.69) KDRJAK2JAK1TYK2KIT
SCHEMBL1939963 0.88 CCR2 (0.50) KDRJAK2JAK1TYK2PTPRG
SCHEMBL1941548 0.87 KDR (0.57) KDRJAK2TYK2KITBRAF
SCHEMBL1942084 0.86 PKM (0.54) KDRJAK2JAK1TYK2KIT
SCHEMBL4016059 0.85 KDR (0.74) KDRJAK2TYK2PTPRGMEN1
SCHEMBL1940292 0.84 KDR (0.53) KDRKITBRAFMEN1KMT2A
SCHEMBL1941231 0.82 FADS1 (0.48) KDRJAK2JAK1TYK2KIT
SCHEMBL1941740 0.81 NPC1 (0.54) KDRJAK2JAK1TYK2KIT
SCHEMBL1940206 0.81 MAPT (0.53) KDRKITBRAFMEN1KMT2A
SCHEMBL1941451 0.80 KDR (0.53) KDRJAK2JAK1TYK2KIT

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-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 — — 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885JAK2 32/4885JAK1 119/4885

“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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