SCHEMBL5889170

SCHEMBL5889170

Nc1cc(N2CCN(C3CCS(=O)(=O)C3)CC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DGAT1 O75907 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.40
▸ PIK3CA P42336 6/20 0.39
▸ MTOR P42345 6/20 0.39
▸ RIPK1 Q13546 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL5889174 0.85 HRH4 (0.40) LRRK2HRH4RIPK1P4HTMBTK
SCHEMBL2075565 0.82 HRH4 (0.52) LRRK2HRH4RIPK1P4HTMBTK
SCHEMBL2076114 0.81 HRH4 (0.54) LRRK2HRH4P4HTMBTKMAP4K4
SCHEMBL6797898 0.77 AKT1 (0.42) LRRK2SMN1; SMN2HRH4PIK3CAMTOR
SCHEMBL30068105 0.77 AKT1 (0.42) LRRK2SMN1; SMN2HRH4PIK3CAMTOR
SCHEMBL20241721 0.75 PIK3CA (0.42) LRRK2SMN1; SMN2HRH4PIK3CAMTOR
SCHEMBL5889102 0.74 KDR (0.66) LRRK2
SCHEMBL17840362 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPT
SCHEMBL807737 0.71 HRH4 (0.59) HRH4MAPTMAP4K4
SCHEMBL16371441 0.70 DGAT1 (0.43) LRRK2DGAT1PIK3CAMTORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 — — US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 — — US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 — — 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 (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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LRRK2 185/4885SMN1; SMN2 4473/4885DGAT1 1697/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LRRK2 185/4885SMN1; SMN2 4473/4885DGAT1 1697/4885

“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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