SCHEMBL735449

SCHEMBL735449

O=C(O)CSc1ncnc2[nH]cnc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.60
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAP3K8 P41279 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43

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
SCHEMBL13401493 0.86 SLC6A5 (0.47) NOTUMTSHRRXFP1NPC1ALDH1A1
SCHEMBL14028457 0.84 ALDH1A1 (0.65) NOTUMKMT2AMEN1NPC1ALDH1A1
SCHEMBL14347081 0.84 SLC6A5 (0.54) NOTUMTSHRNPC1ALDH1A1LMNA
Buthiopurine SCHEMBL10380091 0.83 SLC6A5 (0.60) NOTUMTSHRNPC1ALDH1A1LMNA
SCHEMBL10379466 0.82 MAP3K8 (0.50) NOTUMTSHRKMT2AMEN1RXFP1
SCHEMBL14185050 0.82 SLC6A5 (0.58) NOTUMTSHRNPC1ALDH1A1LMNA
SCHEMBL9172544 0.81 NOTUM (0.42) NOTUMTSHRRXFP1NPC1ALDH1A1
SCHEMBL16099136 0.81 NOTUM (0.42) NOTUMTSHRRXFP1NPC1ALDH1A1
SCHEMBL9177267 0.81 NOTUM (0.41) NOTUMTSHRNPC1ALDH1A1LMNA
SCHEMBL21803846 0.80 CDC7 (0.67) NOTUMKMT2AMEN1MAP3K8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2018-12-20 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-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
EP-3029041-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS Corporation (US) 2016-06-08 EP disclosed
EP-2223922-B1 Inhibitors of human phosphatidyl-inositol 3-kinase delta ICOS CORP (US) 2016-03-02 EP disclosed
US-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US disclosed
EP-1438052-A1 INHIBITORS OF HUMAN PHOSPHATIDYL−INOSITOL 3−KINASE DELTA ICOS CORPORATION (US) 2004-07-21 EP disclosed
US-6667300-B2 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION 2003-12-23 US disclosed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US disclosed
WO-2003035075-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-05-01 WO disclosed
US-6518277-B1 Disrupting leukocyte function ICOS CORPORATION 2003-02-11 US disclosed
EP-1278748-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-01-29 EP disclosed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US disclosed
WO-2001081346-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2001-11-01 WO disclosed
WO-1990006312-A1 2',3'-DIDEOXYRIBOFURANOSIDES AND PROCESS FOR PRODUCING THEM INSTITUT FÜR MOLEKULARBIOLOGIE UND ANALYTIK (IMA) GMBH (DE) 1990-06-14 WO 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG NOTUM 3168/4885TSHR 4518/4885KMT2A 3696/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG NOTUM 2730/4885TSHR 4042/4885KMT2A 3310/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG NOTUM 2266/4885TSHR 3904/4885KMT2A 3279/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG NOTUM 2847/4885TSHR 3873/4885KMT2A 3249/4885

“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.