SCHEMBL5214759

SCHEMBL5214759

Cc1ccc(S(=O)(=O)NC(=O)COCCCCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)C(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.78
CKS1B P61024 3/20 0.78
SKP1 P63208 3/20 0.78
SKP2 Q13309 3/20 0.78
NR1I2 O75469 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
TBXA2R P21731 2/20 0.78
AGTR1 P30556 2/20 0.78
PTGIR P43119 2/20 0.78
PDE4D Q08499 2/20 0.78
PTGDR Q13258 2/20 0.78
ABCB11 O95342 1/20 0.78
HTR1A P08908 1/20 0.78
HTR2A P28223 1/20 0.78
ADRA1A P35348 1/20 0.78
OPRD1 P41143 1/20 0.78
OPRK1 P41145 1/20 0.78
HTR2B P41595 1/20 0.78
SCN5A Q14524 1/20 0.78
DRD1 P21728 1/20 0.69

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
SCHEMBL5210755 0.95 CKS1B (0.83) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5214746 0.92 TBXA2R (0.77) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5211625 0.92 CKS1B (0.77) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5210959 0.92 CKS1B (0.75) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5212150 0.88 CKS1B (0.78) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5211167 0.88 CKS1B (0.83) CNR1CKS1BSKP1SKP2NR1I2
Selexipag SCHEMBL674122 0.88 CKS1B (1.00) CNR1CKS1BSKP1SKP2NR1I2
Selexipag SCHEMBL29360518 0.88 CKS1B (1.00) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL5214497 0.88 CKS1B (0.86) CNR1CKS1BSKP1SKP2NR1I2
SCHEMBL19823478 0.87 CKS1B (0.70) CNR1CKS1BSKP1SKP2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US claimed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN claimed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP claimed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN claimed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US claimed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP claimed
CN-118206499-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-18 CN disclosed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN disclosed
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP 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 (1 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 CNR1 2/4885CKS1B 858/4885SKP1 2426/4885

“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.