SCHEMBL509103

SCHEMBL509103

COC(=O)c1sc(N)nc1-c1nccc(N2CCN(CC(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ OGA O60502 3/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL508384 0.89 ALDH1A1 (0.39) ROCK2MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL510040 0.89 WNT1 (0.37) WNT1GSK3BDYRK1AMAPTSMN1; SMN2
SCHEMBL509096 0.86 HRH4 (0.48) WNT1GSK3BDYRK1AROCK2MAPT
SCHEMBL509450 0.85 ALDH1A1 (0.41) ROCK2MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL510233 0.83 PIK3CA (0.47) ROCK2MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10170684 0.83 HRH4 (0.38) SMN1; SMN2ALDH1A1HRH4HSD17B10OGA
SCHEMBL510340 0.77 PIK3CD (0.39) MAPTSMN1; SMN2ALDH1A1CYP2D6USP2
SCHEMBL13329922 0.75 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1CYP2D6CYP1A2
SCHEMBL509504 0.74 ALDH1A1 (0.47) DYRK1AMAPTSMN1; SMN2ALDH1A1HRH4
SCHEMBL10170690 0.72 CYP1A2 (0.38) ALDH1A1HRH4HSD17B10OGACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR WNT1 4422/4885GSK3B 4208/4885DYRK1A 3872/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 WNT1 4110/4885GSK3B 3697/4885DYRK1A 4587/4885

“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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