SCHEMBL754882

SCHEMBL754882

CC(C)Sc1ncnc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
TP53 P04637 3/20 0.36
HSD17B10 Q99714 1/20 0.36
G6PD P11413 1/20 0.34
PAK1 Q13153 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NOTUM Q6P988 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL21316653 0.83 TP53 (0.36) TP53HSD17B10G6PDPAK1KDM4E
SCHEMBL240979 0.79 TP53 (0.52) ALDH1A1TP53HSD17B10G6PDPAK1
SCHEMBL2888984 0.79 G6PD (0.48) ALDH1A1TP53HSD17B10G6PDPAK1
SCHEMBL22639677 0.79 KDM4E (0.50) ALDH1A1TP53HSD17B10NPC1RAB9A
SCHEMBL757120 0.78 MAP3K5 (0.41) ALDH1A1TP53HSD17B10NPC1RAB9A
SCHEMBL3760208 0.76 GAA (0.36) ALDH1A1HSD17B10G6PDPAK1NPC1
SCHEMBL1884552 0.76 G6PD (0.37) TP53HSD17B10G6PDPAK1NOTUM
SCHEMBL2115552 0.75 PAK1 (0.40) ALDH1A1TP53HSD17B10G6PDPAK1
SCHEMBL755191 0.75
SCHEMBL755190 0.75 CYP1A2 (0.33) TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 WO disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2014-06-05 US disclosed
US-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 US disclosed
US-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 US disclosed
US-8623881-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-07 US disclosed
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 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 (9 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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4707/4885PPARG 2687/4885NCOA2 2693/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885PPARG 2505/4885NCOA2 2407/4885

“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.