SCHEMBL3711979

SCHEMBL3711979

CC(C)(C)c1c(N)nn2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.43
JAK2 O60674 13/20 0.42
JAK3 P52333 13/20 0.42
PIK3CG P48736 2/20 0.41
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL19413023 0.84 JAK2 (0.43) SMPD3JAK2JAK3PIK3CGKCNQ3
SCHEMBL15306539 0.81 PIK3CG (0.54) SMPD3PIK3CGKCNQ3KCNQ2AXL
SCHEMBL14752169 0.81 PIK3CG (0.42) SMPD3JAK2JAK3PIK3CGKCNQ3
SCHEMBL5741027 0.80 SMPD3 (0.50) SMPD3JAK2JAK3PIK3CGAXL
SCHEMBL19916808 0.79 JAK2 (0.42) SMPD3JAK2JAK3PIK3CGKCNQ3
SCHEMBL19413053 0.79 JAK2 (0.42) SMPD3JAK2JAK3PIK3CGKCNQ3
SCHEMBL19916752 0.77 JAK2 (0.41) SMPD3JAK2JAK3PIK3CG
SCHEMBL25024705 0.77 PIK3CG (0.57) SMPD3JAK2JAK3PIK3CGKCNQ3
SCHEMBL15308491 0.77 PIK3CG (0.49) SMPD3JAK2JAK3PIK3CGAXL
SCHEMBL14672718 0.76 JAK2 (0.37) SMPD3JAK2JAK3PIK3CGKCNQ3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2021-02-18 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma ASTRAZENECA AB (SE) 2020-12-08 US disclosed
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2020-09-24 US disclosed
US-10759806-B2 Isotopologues of isoquinolinone and quinazolinone compounds and uses thereof as PI3K kinase inhibitors INFINITY PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190202835-A1 ISOTOPOLOGUES OF ISOQUINOLINONE AND QUINAZOLINONE COMPOUNDS AND USES THEREOF AS PI3K KINASE INHIBITORS TWELVE THERAPEUTICS, INC. 2019-07-04 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-9255108-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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 (16 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PIK3CD, PIK3CG, PIK3CA SMPD3 305/4885JAK2 306/4885JAK3 213/4885
US-20190202835-A1 ISOTOPOLOGUES OF ISOQUINOLINONE AND QUINAZOLINONE COMPOUNDS AND USES THEREOF AS PI3K KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CB SMPD3 1947/4885JAK2 27/4885JAK3 40/4885
US-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 SMPD3 1749/4885JAK2 1625/4885JAK3 3825/4885
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 SMPD3 853/4885JAK2 58/4885JAK3 270/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma PIK3CD, PIK3CG, PIK3CA SMPD3 305/4885JAK2 306/4885JAK3 213/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PI4KA, PIK3CD, PI4KB SMPD3 492/4885JAK2 517/4885JAK3 293/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885JAK2 51/4885JAK3 171/4885
US-10759806-B2 Isotopologues of isoquinolinone and quinazolinone compounds and uses thereof as PI3K kinase inhibitors PIK3CA, PIK3CD, PIK3CB SMPD3 1947/4885JAK2 27/4885JAK3 40/4885

“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.