SCHEMBL3560021

SCHEMBL3560021

CC(C)(C)C(N)c1c(-c2ccccc2)nc2cc(C(=O)NO)ccn12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 8/20 0.52
▸ AKT2 P31751 8/20 0.52
▸ HDAC1 Q13547 4/20 0.43
▸ CGAS Q8N884 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3560024 0.79 HDAC1 (0.68) AKT1AKT2HDAC1NPC1RAB9A
SCHEMBL3547740 0.72 HDAC1 (0.68) AKT1AKT2HDAC1
SCHEMBL18776373 0.69 AKT1 (0.58) AKT1AKT2CGASNPC1RAB9A
SCHEMBL17114242 0.69 AKT1 (0.60) AKT1AKT2CGASNPC1RAB9A
SCHEMBL360956 0.69 AKT2 (1.00) AKT1AKT2
SCHEMBL25417148 0.68 AKT1 (0.61) AKT1AKT2CGASNPC1RAB9A
SCHEMBL16003629 0.65 AKT1 (0.58) AKT1AKT2CGASNPC1RAB9A
SCHEMBL7833938 0.64 CGAS (0.76) AKT1AKT2CGASNPC1RAB9A
SCHEMBL20579805 0.64 NPC1 (0.77) AKT1AKT2CGASNPC1RAB9A
SCHEMBL23673389 0.63 AKT1 (0.54) AKT1AKT2CGASNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266882-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-02-23 — — US disclosed
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HELSINN HEALTHCARE SA (CH) 2015-02-05 — — US disclosed
US-8901149-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2014-12-02 — — US disclosed
US-20140121203-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS MEI PHARMA, INC. (US) 2014-05-01 — — US disclosed
US-8648092-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI Pharma (US) 2014-02-11 — — US disclosed
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2010-04-29 — — US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 — — US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 — — 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 (4 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-20140121203-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 AKT1 3629/4885AKT2 3118/4885HDAC1 1/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 AKT1 3355/4885AKT2 3168/4885HDAC1 1/4885
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 AKT1 3629/4885AKT2 3118/4885HDAC1 1/4885
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 AKT1 3629/4885AKT2 3118/4885HDAC1 1/4885

“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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