SCHEMBL4569216

SCHEMBL4569216

CC(C)c1ncnn2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.38
PDE10A Q9Y233 1/20 0.34
MAP4K4 O95819 1/20 0.33
SMPD3 Q9NY59 2/20 0.33
AXL P30530 1/20 0.32
PIK3CD O00329 1/20 0.30

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
SCHEMBL15760242 0.92 PIK3CG (0.35) PIK3CGPDE10AMAP4K4
SCHEMBL10281637 0.74 PDE10A (0.38) PIK3CGPDE10AMAP4K4SMPD3AXL
SCHEMBL19185207 0.73 HTT (0.35)
SCHEMBL15165105 0.71 NUDT1 (0.46) PIK3CG
SCHEMBL24166775 0.69 PDE10A (0.38) PDE10AMAP4K4SMPD3AXL
SCHEMBL18521756 0.69 NUDT1 (0.50) PDE10AMAP4K4SMPD3AXLPIK3CD
SCHEMBL179552 0.69 PDE10A (0.38) PDE10AMAP4K4SMPD3AXLPIK3CD
SCHEMBL15760556 0.69 PDE10A (0.38) PIK3CGPDE10AMAP4K4SMPD3AXL
SCHEMBL179560 0.69 PDE10A (0.38) PDE10AMAP4K4SMPD3AXL
SCHEMBL12405880 0.69 MAP4K4 (0.60) PIK3CGPDE10AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 US disclosed
US-9840498-B2 Substituted quinazolin-4-one derivatives NOVARTIS AG (CH) 2017-12-12 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 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 (8 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PDE10A 455/4885MAP4K4 120/4885
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PDE10A 455/4885MAP4K4 120/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PDE10A 455/4885MAP4K4 120/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PDE10A 455/4885MAP4K4 120/4885
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP PIK3CG 1754/4885PDE10A 303/4885MAP4K4 2955/4885
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD PIK3CG 14/4885PDE10A 767/4885MAP4K4 122/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PIK3CG 485/4885PDE10A 179/4885MAP4K4 2438/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP PIK3CG 1403/4885PDE10A 290/4885MAP4K4 2868/4885

“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.