SCHEMBL9968620

SCHEMBL9968620

CC(C)(C)Cc1nc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PDE10A Q9Y233 10/20 0.42
CYP11B2 P19099 1/20 0.38
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2717765 0.77 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL14736721 0.77 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL9941419 0.75 JAK2 (0.45) JAK2JAK3PDE10ACYP11B2
SCHEMBL14352211 0.74 PDE10A (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL7147342 0.73 PDE10A (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL10220083 0.73 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2ADRA1B
SCHEMBL14352106 0.72 JAK2 (0.42) JAK2JAK3PDE10ACYP11B2MEN1
SCHEMBL11413826 0.71 PDE10A (0.44) JAK2JAK3PDE10ACYP11B2MEN1
SCHEMBL11410227 0.71 PDE10A (0.47) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL544142 0.70 JAK2 (0.50) JAK2JAK3PDE10ACYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 US disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 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 (5 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-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 JAK2 1925/4885JAK3 2249/4885PDE10A 14/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 JAK2 1925/4885JAK3 2249/4885PDE10A 14/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A JAK2 652/4885JAK3 924/4885PDE10A 13/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A JAK2 652/4885JAK3 924/4885PDE10A 13/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 JAK2 1925/4885JAK3 2249/4885PDE10A 14/4885

“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.