SCHEMBL3396404

SCHEMBL3396404

O=C(O)CSc1ncnc2nc[nH]c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
ALDH1A1 P00352 3/20 0.72
LMNA P02545 3/20 0.72
HTT P42858 3/20 0.72
HPGD P15428 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
HIF1A Q16665 2/20 0.72
CYP1A2 P05177 2/20 0.72
CDC7 O00311 6/20 0.65
DBF4 Q9UBU7 5/20 0.65
CTNNB1 P35222 1/20 0.62
MAPT P10636 3/20 0.61
GAA P10253 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
AKR1C1 Q04828 1/20 0.60
G6PD P11413 1/20 0.59
PAK1 Q13153 1/20 0.57

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
Buthiopurine SCHEMBL10380092 0.84 PAK1 (0.66) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL8696237 0.84 TSHR (0.72) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL10379467 0.82 TSHR (0.69) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL4253200 0.81 TSHR (0.60) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL9172563 0.80 TSHR (0.67) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL21456772 0.80 TSHR (0.67) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL9173815 0.80 HIF1A (0.65) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL29098331 0.80 HIF1A (0.65) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL2115555 0.78 PAK1 (0.71) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL31439407 0.78 PAK1 (0.71) TSHRALDH1A1LMNAHTTHPGD

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
CN-111995626-B 6- (acetyl-AA-mercapto) purine, its synthesis, activity and use 首都医科大学 2023-06-27 CN claimed
CN-112110925-A 6- (acetyl-AA-mercapto) purines, their synthesis, their activity in combination with cisplatin and their use 首都医科大学 2020-12-22 CN claimed
CN-111995626-A 6- (acetyl-AA-mercapto) purines, their synthesis, activity and use 首都医科大学 2020-11-27 CN claimed
CN-112110925-B 6- (acetyl-AA-mercapto) purine, its synthesis, activity and use in combination with cisplatin 首都医科大学 2023-06-27 CN disclosed
CN-111995626-B 6- (acetyl-AA-mercapto) purine, its synthesis, activity and use 首都医科大学 2023-06-27 CN disclosed
CN-112110985-B 6- (acetyl-Arg-Gly-Asp-AA-sulfhydryl) purine, synthesis, activity and application thereof 首都医科大学 2022-09-02 CN disclosed
CN-112110986-B 6-acetyl RGD mercaptopurine, synthesis thereof, activity of combination of 6-acetyl RGD mercaptopurine and cisplatin and application of 6-acetyl RGD mercaptopurine 首都医科大学 2022-04-22 CN disclosed
CN-112110985-A 6- (acetyl-Arg-Gly-Asp-AA-sulfhydryl) purine, synthesis, activity and application thereof 首都医科大学 2020-12-22 CN disclosed
CN-112110986-A 6-acetyl RGD mercaptopurine, synthesis thereof, activity of combination of 6-acetyl RGD mercaptopurine and cisplatin and application of 6-acetyl RGD mercaptopurine 首都医科大学 2020-12-22 CN disclosed
CN-112110925-A 6- (acetyl-AA-mercapto) purines, their synthesis, their activity in combination with cisplatin and their use 首都医科大学 2020-12-22 CN disclosed
CN-111995626-A 6- (acetyl-AA-mercapto) purines, their synthesis, activity and use 首都医科大学 2020-11-27 CN 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-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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US 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 (3 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 TSHR 3873/4885ALDH1A1 4628/4885LMNA 3454/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG TSHR 3873/4885ALDH1A1 4628/4885LMNA 3454/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG TSHR 3873/4885ALDH1A1 4628/4885LMNA 3454/4885

“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.