SCHEMBL6797904

SCHEMBL6797904

Nc1cc(N2CCS(O)(O)CC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ RIPK1 Q13546 2/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ LIMK2 P53671 1/20 0.37
▸ HRH4 Q9H3N8 5/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KMO O15229 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ BTK Q06187 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL30068105 0.83 AKT1 (0.42) AKT1RIPK1ROCK2LIMK1LIMK2
SCHEMBL6797898 0.83 AKT1 (0.42) AKT1RIPK1ROCK2LIMK1LIMK2
SCHEMBL807296 0.80 SMN1; SMN2 (0.50) AKT1HRH4BTKNPC1TSHR
SCHEMBL30579439 0.80 SMN1; SMN2 (0.50) AKT1HRH4BTKNPC1TSHR
SCHEMBL19004851 0.80 AKT1 (0.47) AKT1RIPK1ROCK2LIMK1LIMK2
SCHEMBL807737 0.79 HRH4 (0.59) HRH4HRH3TSHRCYP2C19CYP1A2
SCHEMBL5889085 0.78 SMN1; SMN2 (0.53) AKT1HRH4NPC1TSHRRECQL
SCHEMBL5889174 0.77 HRH4 (0.40) AKT1RIPK1ROCK2LIMK1LIMK2
SCHEMBL23024919 0.76 RIPK1 (0.46) AKT1RIPK1ROCK2LIMK1RPS6KB1
SCHEMBL17623178 0.75 HRH4 (0.51) AKT1HRH4HRH3CYP2C19CYP1A2

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-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 AKT1 85/4885RIPK1 231/4885ROCK2 193/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 AKT1 85/4885RIPK1 231/4885ROCK2 193/4885

“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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