SCHEMBL20868402

SCHEMBL20868402

Cc1nc(-c2cnc(N3CCN(CCCc4c[nH]c5ccc(C#N)cc45)CC3)nc2)sc1C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.76
SLC6A4 P31645 3/20 0.67

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
SCHEMBL20868349 0.98 HTR1A (0.76) HTR1ASLC6A4
SCHEMBL20868501 0.91 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL20868146 0.89 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL16433128 0.86 HTR1A (1.00) HTR1A
SCHEMBL22371658 0.86 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL16432772 0.84 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL20868395 0.84 SLC6A4 (0.67) HTR1ASLC6A4
SCHEMBL22371656 0.84 SLC6A4 (0.63) HTR1ASLC6A4
SCHEMBL18296854 0.83 SLC6A4 (0.81) HTR1ASLC6A4
SCHEMBL20868391 0.83 SLC6A4 (0.75) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861182-B Phosphate of pyrimidine thiazole carboxamide compound and crystal form thereof 广东东阳光药业股份有限公司 2024-04-26 CN disclosed
CN-114195773-B Process for the preparation of substituted pyrimidinylpiperazine compounds 广东东阳光药业股份有限公司 2024-04-26 CN disclosed
EP-3687989-B1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2024-02-28 EP disclosed
EP-3687989-B1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2024-02-28 EP disclosed
US-20240010643-A1 PREPARATION METHOD OF SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUNDS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-11 US disclosed
US-20230312551-A1 SALT OF 2-(SUBSTITUTED PYRIMIDINYL) THIAZOLE CARBOXAMIDE COMPOUND, AND COMPOSITION AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-10-05 US disclosed
CN-113861184-B Phosphate of 2- (substituted pyrimidinyl) thiazole carboxamide compound and use thereof 广东东阳光药业有限公司 2023-07-18 CN disclosed
CN-113861183-B Salts of substituted pyrimidine piperazine compounds and uses thereof 广东东阳光药业有限公司 2023-06-27 CN disclosed
EP-4174065-A1 SALT OF 2-(SUBSTITUTED PYRIMIDINYL)THIAZOLECARBOXAMIDE COMPOUND, AND COMPOSITION AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2023-05-03 EP disclosed
CN-113861185-B Salts of 2- (substituted pyrimidinyl) thiazolecarboxamide compounds, compositions and uses thereof 广东东阳光药业有限公司 2023-04-07 CN disclosed
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-03-29 US disclosed
WO-2022002011-A1 SALT OF 2-(SUBSTITUTED PYRIMIDINYL)THIAZOLECARBOXAMIDE COMPOUND, AND COMPOSITION AND USE THEREOF 东莞市东阳光新药研发有限公司 2022-01-06 WO disclosed
CN-113861183-A Salts of substituted pyrimidinylpiperazine compounds and uses thereof 广东东阳光药业有限公司 2021-12-31 CN disclosed
CN-113861184-A Phosphate of 2- (substituted pyrimidinyl) thiazole carboxamide compounds and uses thereof 广东东阳光药业有限公司 2021-12-31 CN disclosed
CN-113861182-A Phosphate of pyrimidine thiazole carboxamide compound and crystal form thereof 广东东阳光药业有限公司 2021-12-31 CN disclosed
CN-113861185-A Salts of 2- (substituted pyrimidinyl) thiazole carboxamide compounds, compositions and uses thereof 广东东阳光药业有限公司 2021-12-31 CN disclosed
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-03 US disclosed
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-03 US disclosed
WO-2019062662-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-04 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 (4 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-20230312551-A1 SALT OF 2-(SUBSTITUTED PYRIMIDINYL) THIAZOLE CARBOXAMIDE COMPOUND, AND COMPOSITION AND USE THEREOF GRIN2C, GRIN2A, NR3C2 HTR1A 187/4885SLC6A4 18/4885
US-20240010643-A1 PREPARATION METHOD OF SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUNDS UMPS, ITPA, DPYD HTR1A 1944/4885SLC6A4 3693/4885
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF HTR5A, TPH1, HTR2C HTR1A 5/4885SLC6A4 13/4885
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof HTR5A, TPH1, HTR2C HTR1A 5/4885SLC6A4 13/4885

“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.