SCHEMBL3436072

SCHEMBL3436072

O=C(O)c1csc(-c2ccnnc2)n1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGDS O60760 1/20 0.57
KDM4E B2RXH2 1/20 0.51
HDAC6 Q9UBN7 2/20 0.48
PTPN1 P18031 1/20 0.47
PLA2G10 O15496 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL23581884 0.85 HTR2B (0.53) ALDH1A1HPGDSHDAC6IRAK4ACHE
Hydrochloric Acid SCHEMBL30862504 0.84 HTR2B (0.51) ALDH1A1HPGDSHDAC6IRAK4ACHE
Hydrochloric Acid SCHEMBL30196166 0.84 HTR2B (0.51) ALDH1A1HPGDSHDAC6IRAK4ACHE
SCHEMBL12571467 0.81 MAOA (0.53) ALDH1A1HPGDSHDAC6IRAK4ACHE
Fumaric Acid SCHEMBL31258611 0.81 HTR2B (0.46) ALDH1A1HPGDSHDAC6IRAK4ACHE
SCHEMBL657641 0.81 ALDH1A1 (0.70) ALDH1A1HPGDSKDM4EHDAC6PTPN1
SCHEMBL31351012 0.81 HDAC6 (0.72) ALDH1A1HPGDSKDM4EHDAC6IRAK4
SCHEMBL369871 0.81 HDAC6 (0.72) ALDH1A1HPGDSKDM4EHDAC6IRAK4
SCHEMBL352152 0.79 HPGDS (0.73) ALDH1A1HPGDSKDM4EHDAC6PTPN1
SCHEMBL3435162 0.78 RAB9A (0.60) ALDH1A1

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
WO-2025082460-A1 DIACYLGLYCEROL KINASE INHIBITOR COMPOUND AND USE THEREOF 上海先祥医药科技有限公司 2025-04-24 WO disclosed
CN-113365994-B Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2024-08-09 CN disclosed
CN-115590854-B Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2024-06-07 CN disclosed
CN-117534665-A Diacylglycerol kinase inhibitors 山东轩竹医药科技有限公司 2024-02-09 CN disclosed
CN-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed
CN-115626919-A Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2023-01-20 CN disclosed
CN-115590854-A Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社(JP) 2023-01-13 CN disclosed
US-20220315603-A1 PYRIDAZINYL-THIAZOLECARBOXAMIDE COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2022-10-06 US disclosed
CN-113365994-A Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2021-09-07 CN disclosed
WO-2021132422-A1 PYRIDAZINYL THIAZOLECARBOXAMIDE COMPOUND アステラス製薬株式会社 2021-07-01 WO disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 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 (5 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 ALDH1A1 1229/4885HPGDS 141/4885KDM4E 2243/4885
US-20220315603-A1 PYRIDAZINYL-THIAZOLECARBOXAMIDE COMPOUND CD274, PDCD1, PDCD1LG2 ALDH1A1 1416/4885HPGDS 891/4885KDM4E 1077/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ALDH1A1 178/4885HPGDS 267/4885KDM4E 2232/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 ALDH1A1 648/4885HPGDS 139/4885KDM4E 1921/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885HPGDS 2971/4885KDM4E 1834/4885

“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.